2-Chloro-5-phenylpyrazine

HCID 1236664CAS 25844-73-9

Substructure search Find similar structures

Basic information

Standard SMILES: Clc1cnc(-c2ccccc2)cn1
InChIKey: IKWXPYFPNVAWJY-UHFFFAOYSA-N
Molecular formula: C10H7ClN2
Average molar mass: 190.63 g/mol
Monoisotopic mass: 190.0297759

Names & identifiers

Preferred name: 2-Chloro-5-phenylpyrazine
IUPAC: 2-chloro-5-phenylpyrazine
English name: 2-CHLORO-5-PHENYL-PYRAZINE
Molecular formula: C10H7ClN2
Molecular weight: 190.63

Names & synonyms

2-chloro-5-phenylpyrazine25844-73-9DTXSID60361245RefChem:259009DTXCID80312294842-634-82-Chloro-5-phenyl-pyrazineMFCD032685855-chloro-2-phenylpyrazine2-chloro-5--phenylpyrazineSCHEMBL3633100SCHEMBL28477929

Show more names

C90108RMA02415Pyrazine, 2-chloro-5-phenyl-

SCHEMBL30495464IKWXPYFPNVAWJY-UHFFFAOYSA-NABA84473SBB091199AKOS0052559962-Chloro-5-phenylpyrazine, AldrichCPRAT31228MS-20135

Database identifiers

CAS: 25844-73-9
PubChem CID: 1236664
DTXSID: DTXSID60361245
EC Number: 842-634-8
Nikkaji: J1.175.396E

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: 97 · 97-98 °C(Solv: hexane (110-54-3))
Boiling point: 296.8 · 296.8±35.0 °C(Predicted)
Density: 1.245 · 1.245±0.06 g/cm3(Predicted)
storage temp.: 2 · under inert gas (nitrogen or Argon) at 2-8°C
pka: -1.78 · -1.78±0.10(Predicted)
form: solid
InChI: 1S/C10H7ClN2/c11-10-7-12-9(6-13-10)8-4-2-1-3-5-8/h1-7H
InChIKey: IKWXPYFPNVAWJY-UHFFFAOYSA-N
SMILES: ClC1=NC=C(C2=CC=CC=C2)N=C1
UNSPSC Code: 12352200 · 12352200
NACRES: 21 · NA.21
Symbol(GHS): 5 · GHS05,GHS06
Signal word: Danger
Hazard statements: 301 · H301-H318
Precautionary statements: 280 · P280-P301+P310-P305+P351+P338
Risk Statements: 41 · 41
Safety Statements: 26 · 26-39
RIDADR: 2811 · UN 2811 6.1 / PGIII
WGK Germany: 3 · WGK 3
HS Code: 2933998090 · 2933998090
Storage Class: 6.1 C · 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects
Hazard Classifications: 3 OralEye · Acute Tox. 3 OralEye Dam. 1

Safety & regulation

GHS classification

GHS Classification · 5 items

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

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%)；Skin Irrit. 2 (100%)；Eye Irrit. 2A (100%)；STOT SE 3 (100%)

Safety data

wgk: WGK 3
ridadr: UN 2811 6.1 / PGIII
hs_code: 2933998090
risk_code: 41
Signal word: Danger
Symbol(GHS): GHS05,GHS06
safety_code: 26-39
Storage Class: 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects
Hazard statements: H301-H318
Hazard Classifications: Acute Tox. 3 OralEye Dam. 1
Precautionary statements: P280-P301+P310-P305+P351+P338