1-Benzyl-4-bromobenzene

C₁₃H₁₁BrCAS 2116-36-1247.13 g/mol

Open in Covalent MOL file

Aryl halide

Properties

Molecular formula: C₁₃H₁₁Br
Molar mass: 247.13 g/mol
Exact mass: 246.0044 Da
logP: 4.04Crippen estimate
Polar surface area: 0.0 Å²
H-bond donors / acceptors: 0 / 0
Rotatable bonds: 2

Hazards

Warning

H315 Causes skin irritation66.7% of notifiers
H319 Causes serious eye irritation66.7% of notifiers
H335 May cause respiratory irritation66.7% of notifiers
H400 Very toxic to aquatic life33.3% of notifiers
H410 Very toxic to aquatic life with long lasting effects33.3% of notifiers

Aggregated from 3 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P273, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P391, P403+P233, P405, P501

Identifiers

CAS number

2116-36-1

SMILES

C1=CC=C(C=C1)CC2=CC=C(C=C2)Br

InChIKey

NNEOYCMCJMLRSD-UHFFFAOYSA-N

InChI

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

Weigh it out

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

Names and synonyms

1 names

4-Bromodiphenylmethane

Work with 1-Benzyl-4-bromobenzene

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

Diphenylmethane101-81-563 % similar 4-Benzylphenol101-53-158 % similar P-Benzylbiphenyl613-42-357 % similar Bromobenzene108-86-155 % similar 3-(4-Bromophenyl)propan-1-ol25574-11-254 % similar 1-Bromo-4-phenylmethoxybenzene6793-92-654 % similar 4-Bromo-P-terphenyl1762-84-152 % similar 4-Bromobiphenyl92-66-052 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

3-(Bromomethyl)biphenyl14704-31-5 2-Bromodiphenylmethane23450-18-2 4-Bromomethylbiphenyl2567-29-5 4-Bromo-4'-methylbiphenyl50670-49-0 Bromodiphenylmethane776-74-9

Elsewhere

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