3-(Bromomethyl)biphenyl

C₁₃H₁₁BrCAS 14704-31-5247.13 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₁₃H₁₁Br
Molar mass: 247.13 g/mol
Exact mass: 246.0044 Da
logP: 4.25Crippen estimate
Polar surface area: 0.0 Å²
H-bond donors / acceptors: 0 / 0
Rotatable bonds: 2

Hazards

Danger

H302 Harmful if swallowed97.6% of notifiers
H314 Causes severe skin burns and eye damage97.6% of notifiers
H400 Very toxic to aquatic life95.2% of notifiers
H410 Very toxic to aquatic life with long lasting effects97.6% of notifiers

Aggregated from 42 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P260, P264, P270, P273, P280, P301+P317, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P330, P363, P391, P405, P501

Identifiers

CAS number

14704-31-5

SMILES

C1=CC=C(C=C1)C2=CC=CC(=C2)CBr

InChIKey

RTFPTPXBTIUISM-UHFFFAOYSA-N

InChI

InChI=1S/C13H11Br/c14-10-11-5-4-8-13(9-11)12-6-2-1-3-7-12/h1-9H,10H2

Weigh it out

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

Work with 3-(Bromomethyl)biphenyl

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

1,3-Bis(bromomethyl)benzene626-15-365 % similar Benzyl bromide100-39-061 % similar 3-Methylbenzyl bromide620-13-357 % similar 3-Biphenylmethanol69605-90-957 % similar 3-Phenoxybenzyl bromide51632-16-757 % similar 3-Fluorobenzyl bromide456-41-754 % similar 3-Chlorobenzyl bromide766-80-354 % similar 3-Bromobenzyl bromide823-78-954 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

1-Benzyl-4-bromobenzene2116-36-1 2-Bromodiphenylmethane23450-18-2 4-Bromomethylbiphenyl2567-29-5 4-Bromo-4'-methylbiphenyl50670-49-0 Bromodiphenylmethane776-74-9

Elsewhere

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