1-Bromomethyl-4-methyl-2,3,5,6-tetrafluorobenzene

C₈H₅BrF₄CAS 92814-00-1257.03 g/mol

Open in Covalent MOL file

Alkyl halide Aryl halide

Properties

Molecular formula: C₈H₅BrF₄
Molar mass: 257.03 g/mol
Exact mass: 255.9511 Da
logP: 3.45Crippen estimate
Polar surface area: 0.0 Å²
H-bond donors / acceptors: 0 / 0
Rotatable bonds: 1

Hazards

Danger

H314 Causes severe skin burns and eye damage100% of notifiers

Aggregated from 39 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P260, P264, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P363, P405, P501

Identifiers

CAS number

92814-00-1

SMILES

CC1=C(C(=C(C(=C1F)F)CBr)F)F

InChIKey

JGBVMYAEIPKDQB-UHFFFAOYSA-N

InChI

InChI=1S/C8H5BrF4/c1-3-5(10)7(12)4(2-9)8(13)6(3)11/h2H2,1H3

Weigh it out

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

Names and synonyms

1 names

4-Methyl-2,3,5,6-tetrafluorobenzyl bromide

Work with 1-Bromomethyl-4-methyl-2,3,5,6-tetrafluorobenzene

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

Pentafluorobenzyl bromide1765-40-867 % similar 2,3,5,6-Tetrafluoro-P-xylene703-87-755 % similar 1,3,5-Tris(bromomethyl)-2,4,6-trimethylbenzene21988-87-455 % similar 4-Methyl-2,3,5,6-tetrafluorobenzyl alcohol79538-03-754 % similar Pentafluoromethylbenzene771-56-252 % similar 3-(Bromomethyl)-1,2,4,5-tetrafluorobenzene53001-73-348 % similar 4,4'-Dimethyloctafluorobiphenyl26475-18-348 % similar 2,3,6-Trifluorobenzyl bromide151412-02-141 % similar

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

Same formula

1-(Bromomethyl)-2-fluoro-3-(trifluoromethyl)benzene184970-25-0 4-(Bromomethyl)-1-fluoro-2-(trifluoromethyl)benzene184970-26-1 4-Fluoro-2-(trifluoromethyl)benzyl bromide206860-48-2 4-(Bromomethyl)-2-fluoro-1-(trifluoromethyl)benzene213203-65-7 2-(Bromomethyl)-1-fluoro-4-(trifluoromethyl)benzene220239-69-0 1-(Bromomethyl)-2-fluoro-4-(trifluoromethyl)benzene239087-07-1 2-(Bromomethyl)-1-fluoro-3-(trifluoromethyl)benzene239087-08-2 3-Fluoro-5-(trifluoromethyl)benzyl bromide239087-09-3

Elsewhere

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