2-Chloro-6-phenylpyrazine

HCID 5216092

Notes Reactions

Substructure search Find similar structures

Basic information

CAS: 41270-62-6
Standard SMILES: Clc1cncc(-c2ccccc2)n1
InChIKey: XSCFGLUXJLGZJE-UHFFFAOYSA-N
Molecular formula: C10H7ClN2
Average molar mass: 190.63 g/mol
Monoisotopic mass: 190.0297759

Names & identifiers

Preferred name: 2-Chloro-6-phenylpyrazine
IUPAC: 2-chloro-6-phenylpyrazine
English name: 2-Chloro-6-phenylpyrazine
Molecular formula: C10H7ClN2
Molecular weight: 190.63

Names & synonyms

2-Chloro-6-phenylpyrazine41270-62-6DTXSID30410638RefChem:259152DTXCID90361490856-212-6MFCD03861157SCHEMBL319173AKOS006278647AB16842AC-9438DS-6062

Show more names

C90120Pyrazine, 2-chloro-6-phenyl-

CS-0156385A51078EN300-1148412-chloro-6-phenyl-pyrazineAMY41461FT-07277592-chloranyl-6-phenyl-pyrazineSCHEMBL2184003

Database identifiers

CAS: 41270-62-6
PubChem CID: 5216092
DTXSID: DTXSID30410638
EC Number: 856-212-6
Nikkaji: J2.861.346F

Properties

Computed structural properties

XLogP: 2.4
Topological polar surface area: 25.8 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 2
Rotatable bonds: 1
Heavy atoms: 13
Formal charge: 0
Complexity: 157

Physicochemical properties

Melting point: 34 · 34-35 °C(Solv: hexane (110-54-3))
Boiling point: 111 · 111-112 °C(Press: 1 Torr)
Density: 1.245 · 1.245±0.06 g/cm3(Predicted)
storage temp.: 2 · under inert gas (nitrogen or Argon) at 2-8°C
pka: -1.48 · -1.48±0.10(Predicted)
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H315-H335-H319
Precautionary statements: 264 · P264-P270-P301+P312-P330-P501-P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P

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)

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.

Hazard information

Hazard Classes and CategoriesAcute Tox. 4 (100%)

Safety data

Signal word: Warning
Symbol(GHS): GHS07
Hazard statements: H302-H315-H335-H319
Precautionary statements: P264-P270-P301+P312-P330-P501-P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P