2-Bromodiphenylmethane

C₁₃H₁₁BrCAS 23450-18-2247.13 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

Danger

H301 Toxic if swallowed50% of notifiers
H315 Causes skin irritation50% of notifiers
H319 Causes serious eye irritation50% of notifiers
H335 May cause respiratory irritation50% of notifiers
H413 May cause long lasting harmful effects to aquatic life50% of notifiers

Aggregated from 2 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P273, P280, P301+P316, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

23450-18-2

SMILES

C1=CC=C(C=C1)CC2=CC=CC=C2Br

InChIKey

DLCYFIIONMLNAJ-UHFFFAOYSA-N

InChI

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

Weigh it out

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

Work with 2-Bromodiphenylmethane

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

Diphenylmethane101-81-552 % similar 2-Bromobenzyl bromide3433-80-552 % similar 2-Benzylaniline28059-64-552 % similar 2-Benzylphenol28994-41-452 % similar 2-Fluorodiphenylmethane3794-15-852 % similar 2-Bromobenzyl mercaptan143888-85-150 % similar 2-Bromobenzyl alcohol18982-54-250 % similar 1-Bromo-2-ethylbenzene1973-22-450 % 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 4-Bromomethylbiphenyl2567-29-5 4-Bromo-4'-methylbiphenyl50670-49-0 Bromodiphenylmethane776-74-9

Elsewhere

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