2-Bromo-5-methylbenzotrifluoride

C₈H₆BrF₃CAS 261952-20-9239.04 g/mol

Open in Covalent MOL file

Alkyl halide Aryl halide

Properties

Molecular formula: C₈H₆BrF₃
Molar mass: 239.04 g/mol
Exact mass: 237.9605 Da
logP: 3.78Crippen estimate
Polar surface area: 0.0 Å²
H-bond donors / acceptors: 0 / 0
Rotatable bonds: 0

Hazards

Warning

H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation20% of notifiers

Aggregated from 5 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

Identifiers

CAS number

261952-20-9

SMILES

CC1=CC(=C(C=C1)Br)C(F)(F)F

InChIKey

WXXDBPIOFOYRLP-UHFFFAOYSA-N

InChI

InChI=1S/C8H6BrF3/c1-5-2-3-7(9)6(4-5)8(10,11)12/h2-4H,1H3

Weigh it out

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

Work with 2-Bromo-5-methylbenzotrifluoride

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-2,4-bis(trifluoromethyl)benzene327-75-360 % similar 1,4-Dibromo-2-(trifluoromethyl)benzene7657-09-260 % similar 2-Bromo-5-fluorobenzotrifluoride40161-55-558 % similar 4-Bromo-3-(trifluoromethyl)phenol320-49-056 % similar 1-Bromo-4-chloro-2-(trifluoromethyl)benzene344-65-056 % similar 4-Bromo-3-(trifluoromethyl)aniline393-36-256 % similar 2-Amino-5-methylbenzotrifluoride87617-23-056 % similar 1-Bromo-4-methoxy-2-(trifluoromethyl)benzene400-72-656 % similar

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

Same formula

2-Trifluoromethylbenzyl bromide395-44-8 3-(Trifluoromethyl)benzyl bromide402-23-3 4-(Trifluoromethyl)benzyl bromide402-49-3 2-Bromo-1-methyl-4-(trifluoromethyl)benzene66417-30-9 2-Methyl-3-(trifluoromethyl)bromobenzene69902-83-6 4-Methyl-3-(trifluoromethyl)bromobenzene86845-27-4 3-Bromo-5-(trifluoromethyl)toluene86845-28-5

Elsewhere

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