2-Bromo-2,2-difluoroacetic acid
Properties
- Molecular formula
- C2HBrF2O2
- Molar mass
- 174.93 g/mol
- Exact mass
- 173.9128 Da
- Melting point
- 112–113 °C
- Boiling point
- 155–160 °C
- logP
- 1.06Crippen estimate
- Polar surface area
- 37.3 Ų
- H-bond donors / acceptors
- 1 / 1
- Rotatable bonds
- 1
Hazards
Danger
- H302 Harmful if swallowed16% of notifiers
- H312 Harmful in contact with skin12% of notifiers
- H314 Causes severe skin burns and eye damage100% of notifiers
- H332 Harmful if inhaled12% of notifiers
Aggregated from 25 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P260, P261, P264, P270, P271, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P330, P362+P364, P363, P405, P501
Identifiers
CAS number
354-08-5SMILES
O=C(O)C(F)(F)BrInChIKey
LZCMQBRCQWOSHZ-UHFFFAOYSA-NInChI
InChI=1S/C2HBrF2O2/c3-2(4,5)1(6)7/h(H,6,7)Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
3 names
- Acetic acid, 2-bromo-2,2-difluoro-
- Acetic acid, bromodifluoro-
- Bromodifluoroacetic acid
Work with 2-Bromo-2,2-difluoroacetic acid
Predict the NMR spectrum1H and 13C shifts with multiplicities
Make a solutionWhat to weigh for any molarity and volume
Check drug-likenessLipinski, Veber and lead-likeness
Boiling point under vacuumAt any pressure, from its normal boiling point
Isotope patternExact mass and the mass spectrum pattern
Similar compounds
2,2,3,3-Tetrafluorobutanedioic acid377-38-850 % similar
Tribromoacetic acid75-96-750 % similar
Trifluoroacetic acid76-05-150 % similar
Bromodifluoroacetyl bromide1796-12-946 % similar
Bromo(difluoro)acetyl fluoride38126-07-746 % similar
1-Fluoro-cyclopropanecarboxylic acid137081-41-544 % similar
Bromoisobutyric acid2052-01-944 % similar
Bromodifluoroacetamide2169-67-744 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.