5-Bromo-2-(bromomethyl)benzo[b]thiophene

HCID 14819352

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Basic information

CAS: 128104-93-8
Standard SMILES: BrCc1cc2cc(Br)ccc2s1
InChIKey: ZIYHWMODTVOWAT-UHFFFAOYSA-N
Molecular formula: C9H6Br2S
Average molar mass: 306.02 g/mol

Names & identifiers

Preferred name: 5-Bromo-2-(bromomethyl)benzo[b]thiophene
IUPAC: 5-bromo-2-(bromomethyl)-1-benzothiophene

Names & synonyms

128104-93-85-Bromo-2-(bromomethyl)benzo[b]thiophene5-bromo-2-bromomethyl-benzo[b]thiophene5-BROMO-2-(BROMOMETHYL)-1-BENZOTHIOPHENEMFCD196877812-Bromomethyl-5-bromobenzthiophene5-bromo-2-bromomethylbenzo[b]thiopheneSCHEMBL3741364SCHEMBL31095721TQP1607ZIYHWMODTVOWAT-UHFFFAOYSA-N5-bromo-2-(bromomethyl)benzothiophene

Show more names

AKOS005216459EN300-7864101F475839

Database identifiers

CAS: 128104-93-8
PubChem CID: 14819352
EC Number: 117-419-0

Properties

Computed structural properties

XLogP: 4.2
Topological polar surface area: 28.2 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 1
Rotatable bonds: 1
Heavy atoms: 12
Formal charge: 0
Complexity: 163

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

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

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+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.