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Description

Pyrazole · CAS 288-13-1 · C3H4N2. UNII 3QD5KJZ7ZJ. Boiling Point: 187; Melting Point: 68; Solubility: 19400.

Identification

CAS Registry Number	288-13-1
PubChem CID	1048
Molecular formula	C3H4N2
IUPAC name	1H-pyrazole
UNII (FDA)	3QD5KJZ7ZJ

Computed Descriptors

Molecular Weight	68.08
XLogP3	0.3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	0
Exact Mass	68.037448136
Monoisotopic Mass	68.037448136
Topological Polar Surface Area	28.7
Heavy Atom Count	5
Formal Charge	0

Physical & Chemical Properties

Boiling Point	187
Melting Point	68
Solubility	19400
Vapor Pressure	1.19 [mmHg]
LogP	0.26
LogP	0.13
Dissociation Constants	2.48 (at 25 °C)

Physical description & handling notes

• Liquid
• Solid with an odor like pyridine; [Merck Index] Colorless crystalline solid; [Sigma-Aldrich MSDS]
• 125.47 Ų [M+H]+ [CCS Type: DT; Method: stepped-field]

Regulatory Status

GHS notification summary	0.4% (1 / 265)

GHS Hazard Classification

GHS notification summary	0.4% (1 / 265)
Reported hazard statements	H302 (98.9%), H311 (80%), H315 (99.6%), H318 (80%), H319 (19.2%), H335 (19.2%), H372 (80%), H412 (80.4%)

Documented Uses

• Used as a chelating agent and in organic synthesis; [Merck Index]
• All Other Chemical Product and Preparation Manufacturing
• Compounds or agents that combine with an enzyme in such a manner as to prevent the normal substrate-enzyme combination and the catalytic reaction.

Synonyms

pyrazole; 1H-Pyrazole; 288-13-1; 1,2-diazole; Pyrazol; 1H-pyrazol; 3QD5KJZ7ZJ; DTXSID2059774; NSC45410; NSC-45410; CHEBI:17241; RefChem:6183; DTXCID4037873; CHEBI:14973; 206-017-1; MFCD00005234

Frequently Asked Questions

What are the CAS number and molecular formula of Pyrazole?

CAS 288-13-1; molecular formula C3H4N2; molecular weight — g/mol.

What other names is Pyrazole known by?

pyrazole, 1H-Pyrazole, 288-13-1, 1,2-diazole, Pyrazol, 1H-pyrazol.

Is Pyrazole classified as hazardous?

0.4% of GHS notifications report no hazard classification (1 of 265).

What are the key physical properties of Pyrazole?

Boiling Point: 187; Melting Point: 68; Solubility: 19400; Vapor Pressure: 1.19 [mmHg].

Facts on this page are taken from PubChem (US National Library of Medicine) and Wikidata. Grade-specific data — assay, moisture, particle size, packaging, shelf life — is issued per batch on the COA and is not published here.