2,4-Bis(trifluoromethyl)benzyl bromide

C₉H₅BrF₆CAS 140690-56-8307.03 g/mol

Open in Covalent MOL file

Alkyl halide

Properties

Molecular formula: C₉H₅BrF₆
Molar mass: 307.03 g/mol
Exact mass: 305.9479 Da
logP: 4.62Crippen estimate
Polar surface area: 0.0 Å²
H-bond donors / acceptors: 0 / 0
Rotatable bonds: 1

Hazards

Danger

H226 Flammable liquid and vapor88.6% of notifiers
H314 Causes severe skin burns and eye damage100% of notifiers

Aggregated from 44 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P210, P233, P240, P241, P242, P243, P260, P264, P280, P301+P330+P331, P302+P361+P354, P303+P361+P353, P304+P340, P305+P354+P338, P316, P321, P363, P370+P378, P403+P235, P405, P501

Identifiers

CAS number

140690-56-8

SMILES

C1=CC(=C(C=C1C(F)(F)F)C(F)(F)F)CBr

InChIKey

SWFFFUJOWAJJCH-UHFFFAOYSA-N

InChI

InChI=1S/C9H5BrF6/c10-4-5-1-2-6(8(11,12)13)3-7(5)9(14,15)16/h1-3H,4H2

Weigh it out

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

Work with 2,4-Bis(trifluoromethyl)benzyl bromide

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

4-Fluoro-2-(trifluoromethyl)benzyl bromide206860-48-266 % similar 1-(Bromomethyl)-2-fluoro-4-(trifluoromethyl)benzene239087-07-166 % similar 2,4-Bis(trifluoromethyl)benzyl alcohol143158-15-063 % similar 2,4-Bis(trifluoromethyl)benzyl chloride195136-46-063 % similar 2-(Bromomethyl)-1-fluoro-4-(trifluoromethyl)benzene220239-69-061 % similar 2-(Bromomethyl)-1-chloro-4-(trifluoromethyl)benzene237761-77-259 % similar 2-(Bromomethyl)-1-iodo-4-(trifluoromethyl)benzene702641-06-359 % similar 2-Trifluoromethylbenzyl bromide395-44-858 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

2-(Bromomethyl)-1,4-bis(trifluoromethyl)benzene302911-98-4 3,5-Bis(trifluoromethyl)benzyl bromide32247-96-4

Elsewhere

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