[1,1′-Biphenyl]-3-carboxaldehyde

C₁₃H₁₀OCAS 1204-60-0182.22 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: 167–168 °C
Boiling point: 187–188 °C (at 21 Torr)
logP: 3.17Crippen estimate
Polar surface area: 17.1 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 2

Hazards

Warning

H302 Harmful if swallowed88.9% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation97.8% of notifiers

Aggregated from 45 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

1204-60-0

SMILES

O=Cc1cccc(-c2ccccc2)c1

InChIKey

KFKSIUOALVIACE-UHFFFAOYSA-N

InChI

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

Weigh it out

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

Names and synonyms

6 names

3-Biphenylcarboxaldehyde
3-Phenylbenzaldehyde
3-Formylbiphenyl
m-Formylphenyl benzene
Biphenyl-3-carbaldehyde
3-Formyl-1,1′-biphenyl

Work with [1,1′-Biphenyl]-3-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 Isotope patternExact mass and the mass spectrum pattern

Similar compounds

4'-Chlorobiphenyl-3-carbaldehyde139502-80-071 % similar 3-(Pyridin-4-yl)benzaldehyde208190-04-971 % similar 3-(3-Methylphenyl)benzaldehyde216443-78-671 % similar 3-(4-Methylphenyl)benzaldehyde116470-54-369 % similar 3-(4-Fluorophenyl)benzaldehyde164334-74-169 % similar 3-(3-Fluorophenyl)benzaldehyde400750-09-668 % similar Isophthalaldehyde626-19-765 % similar 4'-Methoxy-[1,1'-biphenyl]-3-carbaldehyde118350-17-763 % 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 Fluorenol1689-64-1 [1,1′-Biphenyl]-4-carboxaldehyde3218-36-8 Atractylodin55290-63-6 Xanthene92-83-1

Elsewhere

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