3-Fluoro-5-(trifluoromethyl)benzyl bromide

C8H5BrF4CAS 239087-09-3257.03 g/mol

Open in Covalent MOL file
FFFFBr
Alkyl halideAryl halide

Properties

Molecular formula
C8H5BrF4
Molar mass
257.03 g/mol
Exact mass
255.9511 Da
logP
3.74Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
0 / 0
Rotatable bonds
1

Hazards

Danger
Corrosive (GHS05)Irritant (GHS07)

Aggregated from 8 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P234, P260, P264, P264+P265, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P317, P321, P337+P317, P363, P390, P405, P406, P501

Identifiers

CAS number
239087-09-3
SMILES
C1=C(C=C(C=C1C(F)(F)F)F)CBr
InChIKey
LCVWAXYGYMZJER-UHFFFAOYSA-N
InChI
InChI=1S/C8H5BrF4/c9-4-5-1-6(8(11,12)13)3-7(10)2-5/h1-3H,4H2

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Names and synonyms

1 names
  • 1-(Bromomethyl)-3-fluoro-5-(trifluoromethyl)benzene

Work with 3-Fluoro-5-(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

3,5-Bis(trifluoromethyl)benzyl bromide32247-96-474 % similar 3,5-Difluorobenzyl bromide141776-91-263 % similar 3-Fluoro-5-(trifluoromethyl)benzenemethanamine150517-77-463 % similar 3-Fluoro-5-(trifluoromethyl)benzyl alcohol184970-29-463 % similar 3-Fluoro-5-(trifluoromethyl)phenylacetonitrile239087-12-857 % similar 3-(Trifluoromethyl)benzyl bromide402-23-355 % similar 3-Bromo-5-fluorobenzotrifluoride130723-13-653 % similar 1-Bromo-3-(bromomethyl)-5-fluorobenzene216755-57-653 % 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 5-Fluoro-2-(trifluoromethyl)benzyl bromide239135-48-9

Elsewhere

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