4-Bromo-4'-methylbiphenyl

C₁₃H₁₁BrCAS 50670-49-0247.13 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₁₃H₁₁Br
Molar mass: 247.13 g/mol
Exact mass: 246.0044 Da
logP: 4.42Crippen estimate
Polar surface area: 0.0 Å²
H-bond donors / acceptors: 0 / 0
Rotatable bonds: 1

Hazards

Warning

H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation100% of notifiers

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

Precautionary statements

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

Identifiers

CAS number

50670-49-0

SMILES

CC1=CC=C(C=C1)C2=CC=C(C=C2)Br

InChIKey

MYWLXURJCXISCT-UHFFFAOYSA-N

InChI

InChI=1S/C13H11Br/c1-10-2-4-11(5-3-10)12-6-8-13(14)9-7-12/h2-9H,1H3

Weigh it out

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

Work with 4-Bromo-4'-methylbiphenyl

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

4-Bromotoluene106-38-783 % similar 4,4''-Dibromo-P-terphenyl17788-94-267 % similar Di-p-tolyl613-33-267 % similar 4,4′-Dibromobiphenyl92-86-467 % similar 4-Bromo-4',4''-dimethyltriphenylamine58047-42-063 % similar 1,3,5-Tris(4-bromophenyl)benzene7511-49-157 % similar 4-Bromo-P-terphenyl1762-84-155 % similar 4-Methylbiphenyl644-08-655 % 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-Bromomethylbiphenyl2567-29-5 Bromodiphenylmethane776-74-9

Elsewhere

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