2-Bromo-3-(bromomethyl)-1-benzothiophene
Basic information
- CAS
183861-05-4- Standard SMILES
BrCc1c(Br)sc2ccccc12- InChIKey
WWUZCBNSKRVXQN-UHFFFAOYSA-N- Molecular formula
- C9H6Br2S
- Average molar mass
- 306.02 g/mol
- Monoisotopic mass
- 303.8557
Names & identifiers
- Preferred name
- 2-Bromo-3-(bromomethyl)-1-benzothiophene
- IUPAC
- 2-bromo-3-(bromomethyl)-1-benzothiophene
Names & synonyms
2-Bromo-3-(bromomethyl)-1-benzothiophene183861-05-4Benzo[b]thiophene, 2-bromo-3-(bromomethyl)-SCHEMBL23132153SCHEMBL31499102G52491EN300-25617300
Database identifiers
- CAS
183861-05-4- PubChem CID
- 85703076
- EC Number
- 117-433-7
Properties
Computed structural properties
- XLogP
- 4.5
- Topological polar surface area
- 28.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 1
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 163
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Danger
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P260, P261, P264, P270, P271, P280, P301+P317, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P319, P321, P330, P363, 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%)
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Related reactions
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Compound notes
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