2-(1H-Pyrazol-4-yl)ethanol

HCID 4293604

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Basic information

CAS: 180207-57-2
Standard SMILES: OCCc1cn[nH]c1
InChIKey: YVQFZSHMTCZYMI-UHFFFAOYSA-N
Molecular formula: C5H8N2O
Average molar mass: 112.13 g/mol
Monoisotopic mass: 112.06366288

Names & identifiers

Preferred name: 2-(1H-Pyrazol-4-yl)ethanol
IUPAC: 2-(1H-pyrazol-4-yl)ethanol
English name: 2-(1H-Pyrazol-4-yl)-ethanol
Molecular formula: C5H8N2O
Molecular weight: 112.13

Names & synonyms

2-(1H-pyrazol-4-yl)ethanol180207-57-2DTXSID10401640RefChem:249958DTXCID00352495855-656-82-(1H-Pyrazol-4-yl)-ethanol1H-Pyrazole-4-ethanol2-(1H-Pyrazol-4-Yl)Ethan-1-OlMFCD034193432-(4-pyrazolyl)ethanol2-(1H-pyrazol-4-yl) ethanol

Show more names

Albb-003724AKOS B018513CHEMBRDG-BB 4000128ART-CHEM-BB B0185132-(1H-pyrazole-4-yl)ethanol4-(2-Hydroxyethyl)-1H-pyrazole1H-Pyrazole-4-ethanol (9CI, ACI)

CHEMBL32762744-(2-HYDROXYETHYL)PYRAZOLECL3409STK301539AKOS000307363CS-W004817AB14476AC-23295

Database identifiers

CAS: 180207-57-2
PubChem CID: 4293604
DTXSID: DTXSID10401640
ChEMBL: CHEMBL3276274
EC Number: 855-656-8

Properties

Computed structural properties

XLogP: 0.1
Topological polar surface area: 48.9 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 2
Rotatable bonds: 2
Heavy atoms: 8
Formal charge: 0
Complexity: 67.4

Physicochemical properties

Melting point: 54 · 54-55 °C
Boiling point: 140 · 140-145 °C(Press: 0.3 Torr)
Density: 1.228 · 1.228±0.06 g/cm3(Predicted)
storage temp.: 2 · under inert gas (nitrogen or Argon) at 2-8°C
form: solid
pka: 14.34 · 14.34±0.50(Predicted)
color: Yellow
InChI: InChI=1S/C5H8N2O/c8-2-1-5-3-6-7-4-5/h3-4,8H,1-2H2,(H,6,7)
InChIKey: YVQFZSHMTCZYMI-UHFFFAOYSA-N
SMILES: N1C=C(CCO)C=N1
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H315-H319-H335
Precautionary statements: 261 · P261-P280-P301+P312-P302+P352-P305+P351+P338
Hazard Codes: Xi
HazardClass: IRRITANT
HS Code: 2933199090 · 2933199090

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H302 (50%): 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)

Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.