Pyrazine, 2-phenyl-

HCID 642870

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Basic information

CAS: 29460-97-7
Standard SMILES: c1ccc(-c2cnccn2)cc1
InChIKey: LNJZJDLDXQQJSG-UHFFFAOYSA-N
Molecular formula: C10H8N2
Average molar mass: 156.18 g/mol
Monoisotopic mass: 156.06874826

Names & identifiers

Preferred name: Pyrazine, 2-phenyl-
IUPAC: 2-phenylpyrazine
English name: 2-Phenyl-pyrazine
Molecular formula: C10H8N2
Molecular weight: 156.18

Names & synonyms

2-phenylpyrazinepyrazine, 2-phenyl-phenylpyrazineEOX97B80PNUNII-EOX97B80PNDTXSID30349090RefChem:177447DTXCID90300162882-355-9InChI=1/C10H8N2/c1-2-4-9(5-3-1)10-8-11-6-7-12-10/h1-829460-97-72-Phenyl-pyrazine

Show more names

MFCD01646258Pyrazine, phenyl-SCHEMBL166615SCHEMBL482024SCHEMBL533537SCHEMBL559143SCHEMBL583848SCHEMBL1388067

Database identifiers

CAS: 29460-97-7
PubChem CID: 642870
DTXSID: DTXSID30349090
UNII: EOX97B80PN
EC Number: 882-355-9
Nikkaji: J855.274F

Properties

Computed structural properties

XLogP: 1.4
Topological polar surface area: 25.8 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 2
Rotatable bonds: 1
Heavy atoms: 12
Formal charge: 0
Complexity: 130

Experimental & physicochemical properties

LogP2.07

Physicochemical properties

Melting point: 75 °C · 75 °C
Boiling point: 276.2 · 276.2±20.0 °C(Predicted)
Density: 1.106 · 1.106±0.06 g/cm3(Predicted)
pka: 0.54 · 0.54±0.10(Predicted)
FDA UNII: 97 B80PN · EOX97B80PN
Symbol(GHS): 7 · GHS07,GHS05
Signal word: Danger
Hazard statements: 315 · H315-H318-H335-H302
Precautionary statements: 264 · P264-P280-P302+P352-P321-P332+P313-P362-P280-P305+P351+P338-P310-P264-P270-P301+P312-P330-P501
Hazard Codes: Xn
Risk Statements: 22 · 22-41

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

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

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+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

risk_code: 22-41
Signal word: Danger
Symbol(GHS): GHS07,GHS05
hazard_code: Xn
Hazard statements: H315-H318-H335-H302
Precautionary statements: P264-P280-P302+P352-P321-P332+P313-P362-P280-P305+P351+P338-P310-P264-P270-P301+P312-P330-P501