4-Bromomethylbiphenyl

C₁₃H₁₁BrCAS 2567-29-5247.13 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 swallowed95.2% of notifiers
H318 Causes serious eye damage95.2% of notifiers
H413 May cause long lasting harmful effects to aquatic life90.5% of notifiers

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

Precautionary statements

P264, P264+P265, P270, P273, P280, P301+P317, P305+P354+P338, P317, P330, P501

Identifiers

CAS number

2567-29-5

SMILES

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

InChIKey

HZQLUIZFUXNFHK-UHFFFAOYSA-N

InChI

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

Weigh it out

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

Names and synonyms

1 names

1,1'-Biphenyl, 4-(bromomethyl)-

Work with 4-Bromomethylbiphenyl

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

Benzyl bromide100-39-070 % similar 1,3,5-Tris[4-(bromomethyl)phenyl]benzene42837-44-568 % similar 1,4-Bis(bromomethyl)benzene623-24-563 % similar P-Benzylbiphenyl613-42-357 % similar para-Quaterphenyl135-70-653 % similar P-Quinquephenyl3073-05-053 % similar 1,1′:4′,1′′:4′′,1′′′:4′′′,1′′′′:4′′′′,1′′′′′-Sexiphenyl4499-83-653 % similar Terphenyl92-94-453 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

3-(Bromomethyl)biphenyl14704-31-5 1-Benzyl-4-bromobenzene2116-36-1 2-Bromodiphenylmethane23450-18-2 4-Bromo-4'-methylbiphenyl50670-49-0 Bromodiphenylmethane776-74-9

Elsewhere

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