2-Bromo-1,1,1-trifluoroethane

C2H2BrF3CAS 421-06-7162.94 g/mol

Open in Covalent MOL file
FFFBr
Alkyl halide

Properties

Molecular formula
C2H2BrF3
Molar mass
162.94 g/mol
Exact mass
161.9292 Da
Density
1.8383 g/mL (at 17.5 °C)
Melting point
−93.9 °C
Boiling point
26 °C
logP
1.94Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
0 / 0
Rotatable bonds
0

Hazards

Warning
Irritant (GHS07)

Aggregated from 40 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501, P502

Identifiers

CAS number
421-06-7
SMILES
FC(F)(F)CBr
InChIKey
TZNJHEHAYZJBHR-UHFFFAOYSA-N
InChI
InChI=1S/C2H2BrF3/c3-1-2(4,5)6/h1H2

Weigh it out

Type any one amount. The others follow from the molar mass and density.

Names and synonyms

5 names
  • Ethane, 2-bromo-1,1,1-trifluoro-
  • 1-Bromo-2,2,2-trifluoroethane
  • 1,1,1-Trifluoro-2-bromoethane
  • 2,2,2-Trifluoroethyl bromide
  • HBFC 133aB1

Work with 2-Bromo-1,1,1-trifluoroethane

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

3-Bromo-1,1,1-trifluoropropane460-32-244 % similar 1,2-Dibromo-1,1-difluoroethane75-82-144 % similar 1,3-Dibromo-2,2-bis(bromomethyl)propane3229-00-340 % similar 1-Bromo-4,4,4-trifluorobutane406-81-540 % similar 1,1,1,3,3,3-Hexafluoropropane690-39-140 % similar 3-Bromo-1,1,1-trifluoro-2,2-dimethylpropane1447671-73-938 % similar 1,1-Bis(bromomethyl)cyclopropane29086-41-735 % similar 1,1,1,2-Tetrafluoroethane811-97-235 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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