CAS 52277-85-7 1-hydroxy-1H-pyrazole (HCID 3016733)

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Basic information

CAS: 52277-85-7
Standard SMILES: On1cccn1
InChIKey: QVCIPIYWPSPRFA-UHFFFAOYSA-N
Molecular formula: C3H4N2O
Average molar mass: 84.08 g/mol
Monoisotopic mass: 84.03236275

Names & identifiers

Preferred name: 1-hydroxy-1H-pyrazole
IUPAC: 1-hydroxypyrazole
English name: 1-hydroxy-1H-pyrazole
Molecular formula: C3H4N2O
Molecular weight: 84.08

Names & synonyms

81945-73-51-hydroxypyrazole1-Hydroxy-1H-pyrazole1H-Pyrazole, 1-hydroxy-EINECS 279-854-3RefChem:433104279-854-31H-pyrazol-1-olMFCD11850516pyrazol-1-ol52277-85-7diazole 1-oxide

Show more names

1-hydroxy-1,2-diazole

N-hydroxypyrazolepyrazole-1-olEINECS 257-808-3DTXSID409666511H-PyrazololSCHEMBL123668SCHEMBL126676SCHEMBL277409

Database identifiers

CAS: 52277-85-7、81945-73-5
PubChem CID: 3016733
DTXSID: DTXSID40966651
EC Number: 257-808-3、279-854-3
Nikkaji: J320.348D

Properties

Computed structural properties

XLogP: 0.3
Topological polar surface area: 38.1 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 2
Rotatable bonds: 0
Heavy atoms: 6
Formal charge: 0
Complexity: 48.1

Physicochemical properties

Melting point: 74 ℃ · 74℃
Boiling point: 242.3 · 242.3±23.0 °C(Predicted)
Density: 1.3 · 1.30±0.1 g/cm3(Predicted)
storage temp.: Sealed in dry,Room Temperature
pka: 9.38 · 9.38±0.58(Predicted)
Appearance: White to off-white Solid
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 317 · H317-H319
Precautionary statements: 280 · P280-P305+P351+P338

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

Hazard information

Hazard Classes and CategoriesAcute Tox. 4 (100%)

Safety data

Signal word: Warning
Symbol(GHS): GHS07
Hazard statements: H317-H319
Precautionary statements: P280-P305+P351+P338

Chemistry & industry

Applications

Uses1H-Pyrazol-1-ol, is an intermediate in the synthesis of various pharmaceutical compounds containing pyrazole. It can be used for the construction of multidentate ligands.