CAS 137690-08-5 6,7-Difluoro-1,2-dihydroquinoxalin-2-one (HCID 6324339)

Substructure search Find similar structures

Basic information

CAS: 137690-08-5
Standard SMILES: O=c1cnc2cc(F)c(F)cc2[nH]1
InChIKey: XBFHNYFFPYZZIY-UHFFFAOYSA-N
Molecular formula: C8H4F2N2O
Average molar mass: 182.13 g/mol

Names & identifiers

Preferred name: 6,7-Difluoro-1,2-dihydroquinoxalin-2-one
IUPAC: 6,7-difluoro-1H-quinoxalin-2-one
English name: 6,7-difluoro-1,2-dihydroquinoxalin-2-one
Molecular formula: C8H4F2N2O
Molecular weight: 182.13

Names & synonyms

137690-08-56,7-difluoro-1,2-dihydroquinoxalin-2-oneRefChem:538635842-900-36,7-Difluoro-quinoxalin-2-ol2(1H)-Quinoxalinone, 6,7-difluoro-6,7-difluoro-1H-quinoxalin-2-one6,7-Difluoroquinoxalin-2(1H)-one6,7-difluoroquinoxalin-2-ol6,7-Difluoro-2(1H)-quinoxalinoneSCHEMBL7065256,7-difluoroquinoxalin-2-one

Show more names

SCHEMBL207743162-Quinoxalinol, 6,7-difluoro-6,7-difluoroquinoxalin-2(1H)oneMFA69008MFCD02320316AKOS005454288AKOS011670344ST087318

Database identifiers

CAS: 137690-08-5
PubChem CID: 6324339
EC Number: 842-900-3

Properties

Computed structural properties

XLogP: 1
Topological polar surface area: 41.5 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 4
Rotatable bonds: 0
Heavy atoms: 13
Formal charge: 0
Complexity: 257

Physicochemical properties

Density: 1.55 · 1.55±0.1 g/cm3(Predicted)
pka: 6.79 · 6.79±0.70(Predicted)
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H319-H335-H315
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)

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

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