[1,1′-Biphenyl]-4-carbonyl chloride

C₁₃H₉ClOCAS 14002-51-8216.66 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₁₃H₉ClO
Molar mass: 216.66 g/mol
Exact mass: 216.0342 Da
Melting point: 113 °C
logP: 3.73Crippen estimate
Polar surface area: 17.1 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 2

Hazards

Danger

H314 Causes severe skin burns and eye damage100% of notifiers
H318 Causes serious eye damage80.4% of notifiers

Aggregated from 51 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P260, P264, P264+P265, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P363, P405, P501

Identifiers

CAS number

14002-51-8

SMILES

O=C(Cl)c1ccc(-c2ccccc2)cc1

InChIKey

JPVUWCPKMYXOKW-UHFFFAOYSA-N

InChI

InChI=1S/C13H9ClO/c14-13(15)12-8-6-11(7-9-12)10-4-2-1-3-5-10/h1-9H

Weigh it out

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

Names and synonyms

7 names

4-Biphenylcarbonyl chloride
4-Phenylbenzoyl chloride
Diphenyl-4-carboxylic acid chloride
p-Phenylbenzoyl chloride
p-Biphenylcarbonyl chloride
4-Biphenylylformyl chloride
4-(Phen-4-yl)benzoyl chloride

Work with [1,1′-Biphenyl]-4-carbonyl chloride

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

4,4′-Biphenyldicarbonyl chloride2351-37-382 % similar Benzoyl chloride98-88-474 % similar Terephthaloyl chloride100-20-968 % similar 4-Phenylazobenzoyl chloride104-24-562 % similar 4-Chlorobenzoyl chloride122-01-056 % similar 4-Phenylbenzophenone2128-93-056 % similar 4-Iodobenzoyl chloride1711-02-054 % similar 4-Phenylbenzamide3815-20-154 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

3-Chlorobenzophenone1016-78-0 4-Chlorobenzophenone134-85-0 4'-Chlorobiphenyl-3-carbaldehyde139502-80-0 3'-Chloro-[1,1'-biphenyl]-4-carbaldehyde400744-49-2 2-Chlorobenzophenone5162-03-8

Elsewhere

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