Pyrazinemethanol

HCID 201734

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Basic information

CAS: 6705-33-5
Standard SMILES: OCc1cnccn1
InChIKey: LFCWHDGQCWJKCG-UHFFFAOYSA-N
Molecular formula: C5H6N2O
Average molar mass: 110.11 g/mol
Monoisotopic mass: 110.04801281

Names & identifiers

Preferred name: Pyrazinemethanol
IUPAC: pyrazin-2-ylmethanol
English name: 2-Pyrazinylmethanol
Molecular formula: C5H6N2O
Molecular weight: 110.11

Names & synonyms

6705-33-5pyrazin-2-ylmethanolPyrazinemethanol2-PYRAZINEMETHANOL2-Hydroxymethylpyrazine2-(Hydroxymethyl)pyrazineBRN 0110057UNII-C27Z7QI77D(HYDROXYMETHYL)PYRAZINEC27Z7QI77DDTXSID002173385-23-11-00154 (Beilstein Handbook Reference)

Show more names

Pyrazin-2-ylMethpyrazin-2-ylmethal2-Pyrazinemethanol>2-HYDROXYMETHYLPYRAZINE(Pyrazin-2-yl)methanol 97%2-(Hydroxymethyl)pyrazine 97%2-(Hydroxymethyl)pyrazine, tech

RefChem:177451DTXCID001398292-Pyrazinylmethanol(pyrazin-2-yl)methanol(2-Hydroxymethyl)pyrazinePyrazin-2-yl-methanolMFCD01693938SCHEMBL284256

Database identifiers

CAS: 6705-33-5
PubChem CID: 201734
DTXSID: DTXSID00217338
UNII: C27Z7QI77D
EC Number: 691-621-1
Nikkaji: J2.263.475E

Properties

Computed structural properties

XLogP: -1
Topological polar surface area: 46 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 3
Rotatable bonds: 1
Heavy atoms: 8
Formal charge: 0
Complexity: 67.4

Physicochemical properties

Melting point: 38.5 · 38.5
Boiling point: 60 °C/0.2mmHg · 60°C/0.2mmHg(lit.)
Density: 1.227 · 1.227±0.06 g/cm3(Predicted)
storage temp.: 2 · 2-8°C
form: powder to lump
pka: 13.48 · 13.48±0.10(Predicted)
color: White to Light yellow
λmax: 265 nm · 265nm(EtOH)(lit.)
LogP: -0.181 · -0.181 (est)
EWG's Food Scores: 1 · 1
FDA UNII: 27 Z7QI77D · C27Z7QI77D
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H315-H319-H332-H335
Precautionary statements: 261 · P261-P280-P305+P351+P338
Hazard Codes: Xi,Xn
Risk Statements: 36 · 36/37/38-41-37/38-22
Safety Statements: 26 · 26-36/37/39-24/25-39
RTECS: 3625000 · UQ3625000
Hazard Note: Irritant
HS Code: 2933998090 · 2933998090

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

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

Aggregated GHS information provided per 4 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.