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CAS Number


 

1H-pyrazole (C3H4N2)

Compound Descriptions:

Structure Drawing
Formula:C3H4N2
Molecular Weight:68.077 g/mol
Name(s):1H-pyrazole
1,2-diazole
1H-Pyrazol
1H-Pyrazole
CAS-RN:288-13-1, 53153-43-8, 116421-36-4
EINECS:206-017-1 EINECS
Classification:no charge; nitrogen heterocycle; aromatic; 5ring; 1fragment

European Regulations

1 matching entries in european regulations: ECHA-pre

Derivatives / Analogues

Derivativeisotope: 1H-Pyrazole-1-d 

Landolt-Börnstein Citations:

Crystallography, Structure and Morphology

 Structure Data of Organic Crystals: Vol. III/5a 2:3-4-7, p.78III/5a
 C3 (214 - 310): C3As - C3H6 (214 - 260): Vol. III/10A 2:240, p.42III/10a

Magnetic Properties

Mechanical Properties

 C-H-N compounds: C: Vol. IV/1a 1.4.7:1733, p.399 (mix)IV/1a

Spectroscopic Methods

Structure and Molecular Constants

 Molecular Constants Mostly From Microwave, Molecular Beam, Electro Spin Resonance and Sub-Doppler Laser Spectroscopy: Vol. II/4 2.5:176aII/4
 Molecular Constants Mostly From Microwave, Molecular Beam, Electro Spin Resonance and Sub-Doppler Laser Spectroscopy: Vol. II/6 2.5:257II/6
 Molecular Constants Mostly From Microwave, Molecular Beam, Electro Spin Resonance and Sub-Doppler Laser Spectroscopy: Vol. II/6 2.6.3:139II/6
 Molecular Constants Mostly From Microwave, Molecular Beam, Electro Spin Resonance and Sub-Doppler Laser Spectroscopy: Vol. II/6 2.7.3:39II/6
 Molecular Constants Mostly From Microwave, Molecular Beam, Electro Spin Resonance and Sub-Doppler Laser Spectroscopy: Vol. II/14a 2.5.2:630II/14a
 Molecular Constants Mostly From Microwave, Molecular Beam, Electro Spin Resonance and Sub-Doppler Laser Spectroscopy: Vol. II/14a 2.6.3.2:311II/14a
 Molecular Constants Mostly From Microwave, Molecular Beam, Electro Spin Resonance and Sub-Doppler Laser Spectroscopy: Vol. II/14a 2.7.3.2:62II/14a
 Molecular Constants Mostly From Microwave, Molecular Beam, Electro Spin Resonance and Sub-Doppler Laser Spectroscopy: Vol. II/19b 2.5.2:265II/19b
 Molecular Constants Mostly From Microwave, Molecular Beam, Electro Spin Resonance and Sub-Doppler Laser Spectroscopy: Vol. II/19c 2.7.4.2:111II/19c
 Molecular Constants Mostly From Microwave, Molecular Beam, Electro Spin Resonance and Sub-Doppler Laser Spectroscopy: Vol. II/19c 2.9.3.2:25II/19c
 Molecular Constants Mostly From Microwave, Molecular Beam, Electro Spin Resonance and Sub-Doppler Laser Spectroscopy: Vol. II/24b 2.5.2:251II/24B
 Molecular Constants Mostly From Microwave, Molecular Beam, Electro Spin Resonance and Sub-Doppler Laser Spectroscopy: Vol. II/24c 2.9.3.2:29, p.282II/24C
 Structure Data of Free Polyatomic Molecules: Vol. II/25c 3:1153II/25C

Thermodynamic Properties

 Thermodynamic Properties of Organic Compounds and Their Mixtures: Vol. IV/8a 3.5.1, p.56IV/8A
 Vapor Pressure of Chemicals: Vol. IV/20c 2.2:301IV/20C

References

II/14a
Short: II/14a
Title: Molecular Constants: Diamagnetic Molecules
Author: Demaison, J.; Dubrulle, A.; Hüttner, W.; Tiemann, E.
Editor: Hellwege, K.-H.; Hellwege, A.M.
Source: Landolt-Börnstein, New Series
Volume: II/14a
Page: 1-788
Year: 1982
Keyword: organic compounds; molecular constants; spectroscopy; microwave spectroscopy
ISBN: 3-540-11365-7
ISBN: 978-3-540-11365-2
Internet Resource: DOI:10.1007/b19966
RefComment: 196 figs., XI
II/19b
Short: II/19b
Title: Molecular Constants: Rotational, Centrifugal Distortion and Related Constants of Diamagnetic Asymmetric Top Molecules
Author: Demaison, J.; Hüttner, W.; Vogt, J.; Wlodarczak, G.
Editor: Hüttner, W.
Source: Landolt-Börnstein, New Series
Volume: II/19b
Year: 1992
Keyword: organic compounds; molecular constants; spectroscopy; microwave spectroscopy
ISBN: 3-540-54578-6
ISBN: 978-3-540-54578-1
Internet Resource: DOI:10.1007/b44334
RefComment: XI, 488 pages.
Abstract: Volume II/19 Molecular Constants mostly from Microwave, Molecular Beam and Sub-Doppler Laser Spectroscopy is a supplement to the earlier volumes II/4, II/6, and II/14. The slight change in the title reflects current trends in the applications of spectroscopic methods. Together, the four volumes collect all the critically evaluated data published up to 1989/90 on constants of free molecules obtained by classical and modern spectroscopy. Volume II/19 is divided into four parts to record the growing number of investigations, especially in the microwave and millimeter wave regions, where modern techniques like Fourier Transform Microwave Spectroscopy have made new objects of interest such as molecular complexes and clusters accessible to study. Subvolume II/19b contains corresponding data on diamagnetic asymmetric top molecules.
II/19c
Short: II/19c
Title: Molecular Constants: Dipole Moments, Quadrupole Coupling Constants, Hindered Rotation and Magnetic Constants of Diamagnetic Molecules
Author: Demaison, J.; Hüttner, W.; Tiemann, E.; Vogt, J.; Wlodarczak, G.
Editor: Hüttner, W.
Source: Landolt-Börnstein, New Series
Volume: II/19c
Year: 1992
Keyword: organic compounds; molecular constants; spectroscopy; microwave spectroscopy
ISBN: 3-540-54893-9
ISBN: 978-3-540-54893-5
Internet Resource: DOI:10.1007/b44435
RefComment: 8 figs., XI, 295 pages.
Abstract: Volume II/19 Molecular Constants mostly from Microwave, Molecular Beam and Sub-Doppler Laser Spectroscopy is a supplement to the earlier volumes II/4, II/6, and II/14. The slight change in the title reflects current trends in the applications of spectroscopic methods. Together, the four volumes collect all the critically evaluated data published up to 1989/90 on constants of free molecules obtained by classical and modern spectroscopy. Volume II/19 is divided into four parts to record the growing number of investigations, especially in the microwave and millimeter wave regions, where modern techniques like Fourier Transform Microwave Spectroscopy have made new objects of interest such as molecular complexes and clusters accessible to study. Subvolume II/19c contains tables for diamagnetic molecules giving further spectroscopic parameters: quadrupole coupling constants, potential barriers, and data from Stark and Zeeman effect measurements.
II/24B
Short: II/24B
Title: Molecular Constants mostly from Microwave, Molecular Beam, and Sub-Doppler Laser Spectroscopy: Rotational, Centrifugal Distortion and Related Constants of Diamagnetic Asymmetric Top Molecules
Author: Demaison, J.; Vogt, J.; Wlodarczak, G.
Editor: Hüttner, W.
Source: Landolt-Börnstein, New Series
Volume: II/24B
Year: 2000
Keyword: Diamagnetics Diatomics; Linear Symmetric Rotors; Molecular Constants; Molecules
ISBN: 3-540-65345-7
ISBN: 978-3-540-65345-5
Internet Resource: DOI:10.1007/b58835
RefComment: VIII, 525 pages. Hardcover
Abstract: Volume II/24 presents the spectroscopic data on diamagnetic and paramagnetic molecules as well as on molecular ions and radicals up to date considering the publications up to and partly including 1997. The spectroscopic information collected in this volume has been obtained principally from gas phase microwave measurements. Volume II/24 is a supplement to volumes II/4, II/6, II/14, and II/19 and is planned to appear in five subvolumes, the last of which will contain the substance index taking into account all molecules worked at since 1967 in the volumes mentioned and will provide cross references to and between all tables of these. The present subvolume II/24B contains an introduction and tables of rotational and centrifugal distortion constants of asymmetric-top molecules, i.e. data which roughly specifies the frequencies of the rotational transitions of these types of rotors.
II/24C
Short: II/24C
Title: Molecular Constants mostly from Microwave, Molecular Beam, and Sub-Doppler Laser Spectroscopy: Dipole Moments, Quadrupole Coupling Constants, Hindered Rotation and Magnetic Interaction Constants of Diamagnetic Molecules
Author: Demaison, J.; Hübner, H.; Hüttner, W.; Vogt, J.; Wlodarczak, G.
Editor: Hüttner, W.
Source: Landolt-Börnstein, New Series
Volume: II/24C
Year: 2002
Keyword: Atoms; Molecules and Cluster; Physical Chemistry; asZeeman effect parameters; electric dipole moments; hindered rotation; line splittings; magnetic-interaction constants; quadrupole coupling constants; rotational constants; rotational transitions
ISBN: 3-540-41037-6
ISBN: 978-3-540-41037-9
Internet Resource: DOI:10.1007/b75954
RefComment: X, 296 pages, with CD-ROM, Hardcover
RefComment: Written for scientists and engineers in the fields of physics, chemistry and physical chemistry
Abstract: Volume II/24 presents the spectroscopic data on diamagnetic and paramagnetic molecules as well as on molecular ions and radicals up to date considering the publications up to and partly including 1997. The spectroscopic information collected in this volume has been obtained principally from gas phase microwave measurements. In addition, gas phase data have been included derived from methods related to microwave spectroscopy by employing a coherent radiation source.
II/25C
Short: II/25C
Title: Structure Data Of Free Polyatomic Molecules: Molecules containing Three or Four Carbon Atoms
Author: Graner, G.; Hirota, E.; Iijima, T.; Kuchitsu, K.; Ramsay, D.A.; Vogt, J.; Vogt, N.
Editor: Kuchitsu, K.
Source: Landolt-Börnstein, New Series
Volume: II/25C
Year: 2001
Keyword: Free Polyatomic Molecules; Carbon Atoms; Molecules
ISBN: 3-540-66774-1
ISBN: 978-3-540-66774-2
Internet Resource: DOI:10.1007/b71431
RefComment: VIII, 481 pages. Hardcover
Abstract: This volume contains data on the geometric parameters (internuclear distances, bond angles, dihedral angles of internal rotation etc.) of free polyatomic molecules including free radicals and molecular ions. This survey on structure data is made of four subvolume, each containing the geometric parameters determined in the gas phase either by an analysis of the rotational constants (and sometimes the vibrational constants) obtained from microwave, infrared, Raman, electronic and photoelectron spectroscopy or by an analysis of electron diffraction intensities. Most of the structures listed in the tables are for molecules in the electronic ground state, but structures for electronically excited states have also been included as far as they are available. In this third subvolume, the structure of molecules containing three for four carbon atoms are listed.
II/27C
Short: II/27C
Title: Diamagnetic Susceptibility and Magnetic Anisotropy of Organic Compounds
Author: Kumar, Mahendra; Gupta, Rajni
Editor: Gupta, Radha Raman
Source: Landolt-Börnstein, New Series
Volume: II/27C
Year: 2008
Keyword: diamagnetic susceptibility; magnetic anisotropy; organic compounds
ISBN: 978-3-540-44734-4 (print)
ISBN: 978-3-540-44736-8 (online)
Internet Resource: doi:10.1007/978-3-540-44736-8
RefComment: VIII, 204 p., Hardcover
RefComment: Written for: Scientists and researchers in the fields of physics, chemistry, materials science
RefComment: Supplement and Revised Editon to II/16
Abstract: The volume II/27 has been divided into three subvolumes according to the classes of compounds: Subvolume A: Diamagnetic susceptibility and magnetic anisotropy of inorganic and organometallic compounds; Subvolume B: Diamagnetic susceptibility of organic compounds (Part 1); Subvolume C: Diamagnetic susceptibility and magnetic anisotropy of organic compounds (Part 2). The data presented in this volume are based on the literature survey of the chemical abstracts up to 2005.
II/4
Short: II/4
Title: Molecular Constants from Microwave Spectroscopy
Author: Starck, B.
Editor: Hellwege, K.-H.; Hellwege, A.M.
Source: Landolt-Börnstein, New Series
Volume: II/4
Page: 1-225
Year: 1967
Keyword: organic compounds; molecular constants; spectroscopy; microwave spectroscopy
ISBN: 3-540-03896-5
ISBN: 978-3-540-03896-2
Internet Resource: DOI:10.1007/b19949
RefComment: 67 figs., X
II/6
Short: II/6
Title: Molecular Constants from Microwave, Molecular Beam, and Electron Spin Resonance Spectroscopy
Author: Demaison, J.; Hüttner, W.; Starck, B.; Buck, I.; Tischer, R.; Winnewisser, M.
Editor: Hellwege, K.-H.; Hellwege, A.M.
Source: Landolt-Börnstein, New Series
Volume: II/6
Year: 1974
Keyword: organic compounds; molecular constants; spectroscopy; microwave spectroscopy
ISBN: 3-540-05977-6
ISBN: 978-3-540-05977-6
Internet Resource: DOI:10.1007/b19951
RefComment: 153 figs., XIII, 688 pages
III/10a
Short: III/10a
Title: Structure Data of Organic Crystals: C ... C 15
Author: Schudt-Weitz, G.; Strell, I.
Editor: Hellwege, K.-H.; Hellwege, A.M.
Source: Landolt-Börnstein, New Series
Volume: III/10a
Year: 1985
ISBN: 3-540-07834-7
ISBN: 978-3-540-07834-0
Internet Resource: DOI:10.1007/b19984
RefComment: XXII, 634 pages. Hardcover
Abstract: The volume includes an alphabetical index of all substances and a separate "ring index" with all cyclic compounds.
III/20a
Short: III/20a
Title: Nuclear Quadrupole Resonance Spectroscopy Data: Nuclei D ... Cl
Author: Chihara, H.; Nakamura, N.
Editor: Hellwege, K.-H.; Hellwege, A.M.
Source: Landolt-Börnstein, New Series
Volume: III/20a
Year: 1988
Keyword: NQR
ISBN: 3-540-18161-X
ISBN: 978-3-540-18161-3
Internet Resource: DOI:10.1007/b31153
RefComment: IX,677 pages. Hardcover
Abstract: Nuclear Quadrupole Resonance Spectroscopy has become a standard method for structural research in molecular and solid state physics as well as for different branches of chemistry. The volumes cover data for more than 8,000 substances in the solid state. Data for free molecules have been published in volumes II/14 and II/15 of the New Series. The tables are arranged according to the atomic number of the elements.
III/31a
Short: III/31a
Title: Nuclear Quadrupole Resonance Spectroscopy Data: Nuclei D ... Cu
Author: Chihara, H.; Nakamura, N.
Editor: Hellwege, K.-H.; Hellwege, A.M.
Source: Landolt-Börnstein, New Series
Volume: III/31a
Year: 1993
Keyword: NQR
ISBN: 3-540-55146-8
ISBN: 978-3-540-55146-1
Internet Resource: DOI:10.1007/b43999
RefComment: VIII, 437 pages. Hardcover
Abstract: Volume III/31 continues the compilation of nuclear quadrupole resonance spectroscopy data of solid substances which started in with volume III/20 in 1987 covering the literature from the beginning of nuclear quadrupole resonance spectroscopy in 1951 to 1982 and containing the data for 8000 substances in the solid state, distributed among three subvolumes III/20 a, b, and c. Volume III/31 covers the literature published in the period from the end of 1982 through the end of 1989. Included are the data for substances studied for the first time, as well as data for substances already present in the previous volume III/20 if the data published there could be completed or improved by new studies. In total there are 2500 substances in volume III/31, showing the scope and significance of nuclear quadrupole resonance spectroscopy up to recent times.
III/35B
Short: III/35B
Title: Nuclear Magnetic Resonance (NMR) Data: Chemical Shifts and Coupling Constants for Fluorine-19 and Nitrogen-15
Author: Balasubramanian, M.; Gupta, R.R.; Jain, M.; Perumal, S.
Editor: Gupta, R.R.; Lechner, M.D.
Source: Landolt-Börnstein, New Series
Volume: III/35B
Year: 1998
ISBN: 3-540-63275-1
ISBN: 978-3-540-63275-7
Internet Resource: DOI:10.1007/b55685
RefComment: VII, 242 pages. With CD-ROM. Hardcover
Abstract: This volume provides a comprehensive and evaluated compilation of nuclear magnetic resonance data. Chemical shifts and coupling constants of boron-11 and phosphorus-31 (subvol. A), fluorine-19 and nitrogen-15 (subvol. B), hydrogen-1 (subvol. C), and carbon-13 (subvol. D) compounds are tabulated together with the gross- and structure formulas and the most readily available solvents. Due to the large amount of the data merely chemical shifts are presented in the printed versions, and all the data, chemical shifts and coupling constants are provided on CO-ROM's.
III/39
Short: III/39
Title: Nuclear Quadrupole Resonance Spectroscopy Data
Author: Chihara, H.; Nakamura, N.
Editor: Chihara, H.
Source: Landolt-Börnstein, New Series
Volume: III/39
Year: 1997
Keyword: NQR; spectroscopy
ISBN: 3-540-62428-7
ISBN: 978-3-540-62428-8
Internet Resource: DOI:10.1007/b61951
RefComment: VIII, 424 pages. Hardcover
Abstract: Volume III/39 continues the compilation of nuclear quadrupole resonance spectroscopy data of solid substances which started in with volumes III/20 and III/31. The literature from the beginning of nuclear quadrupole resonance spectroscopy in 1951 to 1996 is covered. In total there are more than 10.000 substances in the volumes, showing the scope and significance of nuclear quadrupole resonance spectroscopy up to recent times. Volume III/39 can be consulted without recourse to its predecessor because the complete introduction and general tables are repeated from III/20 and III/31.
III/5a
Short: III/5a
Title: Structure Data of Organic Crystals: C ... C 13
Author: Schudt, E.; Weitz, G.
Editor: Hellwege, K.-H.; Hellwege, A.M.
Source: Landolt-Börnstein, New Series
Volume: III/5a
Year: 1971
ISBN: 3-540-05177-5
ISBN: 978-3-540-05177-0
Internet Resource: DOI:10.1007/b19970
RefComment: XXI, 736 pages, and VII, 890 pages. Hardcover
Abstract: Volume III/5 offers a compitation as complete as possible of the space groups and lattice con-stants of all crystals which have been studied by means of X-rays, neutron and electron diffraction.
IV/1a
Short: IV/1a
Title: Densities of Liquid Systems: Nonaqueous Systems and Ternary Aqueous Systems
Author: Lacmann, R.; Synowietz, C.
Editor: Schäfer, Kl.
Source: Landolt-Börnstein, New Series
Volume: IV/1a
Year: 1974
ISBN: 3-540-06269-6
ISBN: 978-3-540-06269-1
Internet Resource: DOI:10.1007/b20003
RefComment: X, 716 pages. Hardcover
Abstract: Volume IV/1 contains information on the densities of liquid systems. It may be considered as a supplement to volume II/1 of the 6th Edition, which contains only a few data on nonaqueous systems. Data are not listed for all systems but primarily for those of greater interest where data for a larger range of concentrations were available.
IV/20C
Short: IV/20C
Title: Vapor Pressure and Antoine Coefficients for Nitrogen Containing Organic Compounds
Author: Dykyj, J.; Svoboda, J.; Wilhoit, R.C.; Frenkel, M.; Hall, K.R.
Editor: Hall, K.R.
Source: Landolt-Börnstein, New Series
Volume: IV/20C
Year: 2001
Keyword: organic compounds; vapor pressure
ISBN: 3-540-41060-0
ISBN: 978-3-540-41060-7
Internet Resource: DOI:10.1007/b88812
RefComment: VII, 197 pages
IV/8A
Short: IV/8A
Title: Enthalpies of Fusion and Transition of Organic Compounds
Author: Zhang, Z.-Y.; Frenkel, M.; March, K.N.; Wilhoit, R.C.
Editor: Marsh, K.N.
Source: Landolt-Börnstein, New Series
Volume: IV/8A
Year: 1995
Keyword: organic compounds; enthaly of fusion; melting point; phase transition
ISBN: 3-540-58854-X
ISBN: 978-3-540-58854-2
Internet Resource: DOI:10.1007/b55145
RefComment: VIII, 588 pages.
EINECS
Short: EINECS
Title: EINECS (European Inventory of Existing Commercial Chemical Substances)
Source: Official Journal of the European Communities
Volume: C 146 A (15.06.1990)
Page: 1
Year: 1990
Publish_Date: 1990/06/15

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