Basic information
- CAS
1782255-44-0- Standard SMILES
O=C(O)c1cc(C(F)(F)F)c(Br)s1- InChIKey
JGXCPSNGDVSCRF-UHFFFAOYSA-N- Molecular formula
- C6H2BrF3O2S
- Average molar mass
- 275.05 g/mol
- Monoisotopic mass
- 273.8911
Names & identifiers
- Preferred name
- 5-Bromo-4-(trifluoromethyl)thiophene-2-carboxylic acid
- IUPAC
- 5-bromo-4-(trifluoromethyl)thiophene-2-carboxylic acid
Names & synonyms
1782255-44-05-Bromo-4-(trifluoromethyl)thiophene-2-carboxylic acidRefChem:533634994-138-75-bromo-4-(trifluoromethyl)thiophene-2-carboxylicacidEN300-22853303
Database identifiers
- CAS
1782255-44-0- PubChem CID
- 84019604
- EC Number
- 994-138-7
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 65.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 1
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 220
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
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%)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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