5-Bromo-2-ethenyl-1,3-benzoxazole

HCID 21980099CAS 791614-82-9

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Basic information

Standard SMILES: C=Cc1nc2cc(Br)ccc2o1
InChIKey: SJFNTQSFNAYHDB-UHFFFAOYSA-N
Molecular formula: C9H6BrNO
Average molar mass: 224.05 g/mol

Names & identifiers

Preferred name: 5-Bromo-2-ethenyl-1,3-benzoxazole
IUPAC: 5-bromo-2-ethenyl-1,3-benzoxazole

Names & synonyms

791614-82-95-bromo-2-ethenyl-1,3-benzoxazole5-bromo-2-vinyl-benzooxazoleSCHEMBL4889255-Bromo-2-vinylbenzo[d]oxazoleSJFNTQSFNAYHDB-UHFFFAOYSA-NEN300-7355661

Database identifiers

CAS: 791614-82-9
PubChem CID: 21980099
EC Number: 184-290-5

Properties

Computed structural properties

XLogP: 3.3
Topological polar surface area: 26 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 2
Rotatable bonds: 1
Heavy atoms: 12
Formal charge: 0
Complexity: 185

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.