(4-Chlorophenyl)phenylmethane

C₁₃H₁₁ClCAS 831-81-2202.68 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₁₃H₁₁Cl
Molar mass: 202.68 g/mol
Exact mass: 202.0549 Da
Melting point: 7.5 °C
logP: 3.93Crippen estimate
Polar surface area: 0.0 Å²
H-bond donors / acceptors: 0 / 0
Rotatable bonds: 2

Hazards

Warning

H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation50% of notifiers

Aggregated from 2 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

831-81-2

SMILES

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

InChIKey

NPOGRKGIBGKRNI-UHFFFAOYSA-N

InChI

InChI=1S/C13H11Cl/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-Chlorodiphenylmethane

Work with (4-Chlorophenyl)phenylmethane

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 P-Benzylbiphenyl613-42-357 % similar 2-(4'-Chlorobenzyl)pyridine4350-41-855 % similar Chlorobenzene108-90-755 % similar 4-Chlorobenzenepropanol6282-88-854 % similar 4-Benzyloxychlorobenzene7700-27-854 % similar 4-Chlorobiphenyl2051-62-952 % similar 4-Benzylphenol101-53-152 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

4-Phenylbenzyl chloride1667-11-4 Chlorodiphenylmethane90-99-3

Elsewhere

PubChem CAS Common Chemistry NIST WebBook