1-(4-Bromo-2-thienyl)-2-chloroethanone
Basic information
- CAS
62673-68-1- Standard SMILES
O=C(CCl)c1cc(Br)cs1- InChIKey
OPHPHNFENFXVBJ-UHFFFAOYSA-N- Molecular formula
- C6H4BrClOS
- Average molar mass
- 239.52 g/mol
- Monoisotopic mass
- 237.88548
Names & identifiers
- Preferred name
- 1-(4-Bromo-2-thienyl)-2-chloroethanone
- IUPAC
- 1-(4-bromothiophen-2-yl)-2-chloroethanone
Names & synonyms
1-(4-bromothiophen-2-yl)-2-chloroethan-1-one62673-68-1DTXSID9012839851-(4-Bromo-2-thienyl)-2-chloroethanoneRefChem:424896DTXCID301714469102-084-5Ethanone, 1-(4-bromo-2-thienyl)-2-chloro-Chloromethyl Thienyl Ketone deriv. 2BDBM7854CHEMBL335357SCHEMBL6784161
Show more names
EBC-610937EN300-1911452Z1416180145
Database identifiers
- CAS
62673-68-1- PubChem CID
- 6539166
- DTXSID
DTXSID901283985- ChEMBL
CHEMBL335357- EC Number
- 102-084-5
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 45.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 142
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]
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.
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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