3-Bromo-1,1,1-trifluoropropane

C₃H₄BrF₃CAS 460-32-2176.96 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₃H₄BrF₃
Molar mass: 176.96 g/mol
Exact mass: 175.9448 Da
logP: 2.33Crippen estimate
Polar surface area: 0.0 Å²
H-bond donors / acceptors: 0 / 0
Rotatable bonds: 1

Hazards

Warning

H315 Causes skin irritation97.6% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation97.6% of notifiers
H420 Harms public health and the environment by destroying ozone in the upper atmosphere100% of notifiers

Aggregated from 41 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

460-32-2

SMILES

C(CBr)C(F)(F)F

InChIKey

SAUGMJLWYLQPEM-UHFFFAOYSA-N

InChI

InChI=1S/C3H4BrF3/c4-2-1-3(5,6)7/h1-2H2

Weigh it out

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

Work with 3-Bromo-1,1,1-trifluoropropane

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 Isotope patternExact mass and the mass spectrum pattern

Similar compounds

1-Bromo-4,4,4-trifluorobutane406-81-567 % similar 2-Bromo-1,1,1-trifluoroethane421-06-744 % similar 1,4-Dibromo-1,1,2,2-tetrafluorobutane18599-20-743 % similar 1-Bromo-3,3-dimethylbutane1647-23-040 % similar 3,3,3-Trifluoro-1-propanol2240-88-240 % similar Chlorotrifluoropropane460-35-540 % similar 1,1,1-Trifluoro-3-iodopropane460-37-740 % similar Poly(difluoromethylene), α-fluoro-ω-(2-hydroxyethyl)-65530-60-140 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

PubChem CAS Common Chemistry NIST WebBook