Bromchlorenone

HCID 21749

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Basic information

CAS: 5579-85-1
Standard SMILES: O=c1[nH]c2cc(Cl)c(Br)cc2o1
InChIKey: KVAWWXSLBDVXHJ-UHFFFAOYSA-N
Molecular formula: C7H3BrClNO2
Average molar mass: 248.46 g/mol
Monoisotopic mass: 246.90356812

Overview

Bromchlorenone is a benzoxazole.

Names & identifiers

Preferred name: Bromchlorenone
IUPAC: 6-bromo-5-chloro-3H-1,3-benzoxazol-2-one
English name: bromchlorenone
Molecular formula: C7H3BrClNO2
Molecular weight: 248.46

Names & synonyms

Bromchlorenone5579-85-1BromchlorenonumBromclorenona6-Bromo-5-chlorobenzoxazoloneNSC-249706-Bromo-5-chloro-2-benzoxazolinone2(3H)-Benzoxazolone, 6-bromo-5-chloro-Bromchlorenone [USAN:INN]Bromchlorenonum [INN-Latin]Bromclorenona [INN-Spanish]NSC 24970

Show more names

BROMOCHLORENONE6-Bromo-5-chlorobenzoxazol-2(3H)-one6-Bromo-5-chlorobenzo[d]oxazol-2(3H)6-Bromo-5-chloro-3H-benzooxazol-2-one6-bromo-5-chlorobenzo[d]oxazol-2(3H)-one6-Bromo-5-chloro-3H-1,3-benzoxazol-2-one

2-BENZOXAZOLINONE, 6-BROMO-5-CHLORO-EINECS 226-967-0BRN 0645274NSC24970A221572SK5BROMCHLORENONE [INN]BROMCHLORENONE [USAN]DTXSID70204356

Database identifiers

CAS: 5579-85-1
PubChem CID: 21749
DTXSID: DTXSID70204356
ChEMBL: CHEMBL1876589
ChEBI: CHEBI:229914
UNII: A221572SK5
EC Number: 226-967-0
Nikkaji: J7.999E

Properties

Computed structural properties

XLogP: 2.5
Topological polar surface area: 38.3 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 2
Rotatable bonds: 0
Heavy atoms: 12
Formal charge: 0
Complexity: 214

Physicochemical properties

Melting point: 204.5 °C · 204.5°C
Density: 1.8508 · 1.8508 (rough estimate)
refractive index: 1.611 · 1.6110 (estimate)
FDA UNII: 221572 SK5 · A221572SK5
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H312-H332
Precautionary statements: 261 · P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P312-P330-P362-P403+P233-P501

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

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

P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 38 reports by companies from 1 notifications 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-H312-H332
Precautionary statements: P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P312-P330-P362-P403+P233-P501