[1,1′-Biphenyl]-4-carboxaldehyde

C₁₃H₁₀OCAS 3218-36-8182.22 g/mol

Open in Covalent MOL file

Aldehyde

Properties

Molecular formula: C₁₃H₁₀O
Molar mass: 182.22 g/mol
Exact mass: 182.0732 Da
Melting point: 60 °C
Boiling point: 121 °C
logP: 3.17Crippen estimate
Polar surface area: 17.1 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 2

Hazards

Warning

H302 Harmful if swallowed12% of notifiers
H315 Causes skin irritation90% of notifiers
H319 Causes serious eye irritation90% of notifiers
H335 May cause respiratory irritation90% of notifiers

Aggregated from 50 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

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

Identifiers

CAS number

3218-36-8

SMILES

O=Cc1ccc(-c2ccccc2)cc1

InChIKey

ISDBWOPVZKNQDW-UHFFFAOYSA-N

InChI

InChI=1S/C13H10O/c14-10-11-6-8-13(9-7-11)12-4-2-1-3-5-12/h1-10H

Weigh it out

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

Names and synonyms

15 names · show all

4-Biphenylcarboxaldehyde
Benzaldehyde, p-phenyl-
p-Biphenylylaldehyde
p-Biphenylcarboxaldehyde
p-Phenylbenzaldehyde
4-Phenylbenzaldehyde
4-Biphenylylcarboxaldehyde
4-Biphenylaldehyde
4-Formylbiphenyl
p-Biphenylaldehyde
Biphenyl-4-carbaldehyde
4-Formyl-1,1′-biphenyl
NSC 46066
[1,1′-Biphenyl]-4-carbaldehyde
(1,1'-Biphenyl)-4-carboxaldehyde

Reactions

Synthesis of unsymmetrical biaryls using a modified suzuki cross-coupling: 4-biphenylcarboxaldehyde ([1,1'-Biphenyl]-4-carboxaldehyde)product

Work with [1,1′-Biphenyl]-4-carboxaldehyde

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 Boiling point under vacuumAt any pressure, from its normal boiling point Isotope patternExact mass and the mass spectrum pattern

Similar compounds

[1,1′-Biphenyl]-4,4′-dicarboxaldehyde66-98-879 % similar Benzaldehyde100-52-770 % similar 1,3,5-Tris(4-formylphenyl)benzene118688-53-268 % similar 4-(3-Methylphenyl)benzaldehyde400744-83-464 % similar 1,4-Benzenedicarboxaldehyde623-27-863 % similar 4-(Pyridin-3-yl)benzaldehyde127406-55-761 % similar 3'-Chloro-[1,1'-biphenyl]-4-carbaldehyde400744-49-261 % similar 3'-Fluoro-[1,1'-biphenyl]-4-carbaldehyde400750-63-261 % similar

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

Same formula

Benzophenone119-61-9 [1,1′-Biphenyl]-2-carboxaldehyde1203-68-5 [1,1′-Biphenyl]-3-carboxaldehyde1204-60-0 Fluorenol1689-64-1 Atractylodin55290-63-6 Xanthene92-83-1

Elsewhere

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