2-(4-Bromothiophen-3-yl)-2,2-difluoroacetic acid
Basic information
- CAS
1518974-67-8- Standard SMILES
O=C(O)C(F)(F)c1cscc1Br- InChIKey
IVJWIMYOJWKHOS-UHFFFAOYSA-N- Molecular formula
- C6H3BrF2O2S
- Average molar mass
- 257.05 g/mol
- Monoisotopic mass
- 255.90052
Names & identifiers
- Preferred name
- 2-(4-Bromothiophen-3-yl)-2,2-difluoroacetic acid
- IUPAC
- 2-(4-bromothiophen-3-yl)-2,2-difluoroacetic acid
Names & synonyms
2-(4-bromothiophen-3-yl)-2,2-difluoroacetic acid1518974-67-8TKC97467AKOS018158278CS-0223081EN300-11382282-(4-bromo-3-thienyl)-2,2-difluoro-acetic acid2-(4-bromothiophen-3-yl)-2,2-difluoroaceticacid
Database identifiers
- CAS
1518974-67-8- PubChem CID
- 79601971
- EC Number
- 179-865-2
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 65.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 200
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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