5-bromo-3-methyl-3H-benzooxazol-2-one

HCID 337469

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Basic information

CAS: 70672-82-1
Standard SMILES: Cn1c(=O)oc2ccc(Br)cc21
InChIKey: HJZKNNJZQLCFEI-UHFFFAOYSA-N
Molecular formula: C8H6BrNO2
Average molar mass: 228.04 g/mol
Monoisotopic mass: 226.95819053

Names & identifiers

Preferred name: 5-bromo-3-methyl-3H-benzooxazol-2-one
IUPAC: 5-bromo-3-methyl-1,3-benzoxazol-2-one
English name: 2(3H)-Benzoxazolone,5-bromo-3-methyl-
Molecular formula: C8H6BrNO2
Molecular weight: 228.04

Names & synonyms

70672-82-15-bromo-3-methyl-3H-benzooxazol-2-oneDTXSID50320169RefChem:301812DTXCID402712925-bromo-3-methylbenzo[d]oxazol-2(3H)-one5-bromo-3-methyl-1,3-benzoxazol-2-oneMFCD164685685-bromo-3-methyl-2,3-dihydro-1,3-benzoxazol-2-oneNSC3554085-Bromo-3-methyl-2(3H)-benzoxazoloneSCHEMBL614398

Show more names

2(3H)-Benzoxazolone,5-bromo-3-methyl-

SCHEMBL5546317SCHEMBL29704410HJZKNNJZQLCFEI-UHFFFAOYSA-NVCA67282NSC-3554085-Bromo-3-methyl-3h-benzoxazol-2-oneSY242319DB-317476

Database identifiers

CAS: 70672-82-1
PubChem CID: 337469
DTXSID: DTXSID50320169
EC Number: 157-264-6

Properties

Computed structural properties

XLogP: 2
Topological polar surface area: 29.5 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 2
Rotatable bonds: 0
Heavy atoms: 12
Formal charge: 0
Complexity: 209

Physicochemical properties

Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302+H312+H332-H315-H319-H335
Precautionary statements: 261 · P261-P264-P270-P271-P280-P301+P312+P330-P302+P352+P312+P362+P364-P304+P340+P312-P305+P351+P338+P337+P313-P403+P233-P405-P501

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+H312+H332-H315-H319-H335
Precautionary statements: P261-P264-P270-P271-P280-P301+P312+P330-P302+P352+P312+P362+P364-P304+P340+P312-P305+P351+P338+P337+P313-P403+P233-P405-P501