[1,1′-Biphenyl]-2-carboxaldehyde

C₁₃H₁₀OCAS 1203-68-5182.22 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₁₃H₁₀O
Molar mass: 182.22 g/mol
Exact mass: 182.0732 Da
Melting point: 202 °C
Boiling point: 150 °C (at 7 Torr)
logP: 3.17Crippen estimate
Polar surface area: 17.1 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 2

Hazards

Warning

H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation97.6% of notifiers

Aggregated from 42 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

1203-68-5

SMILES

O=Cc1ccccc1-c1ccccc1

InChIKey

LCRCBXLHWTVPEQ-UHFFFAOYSA-N

InChI

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

Weigh it out

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

Names and synonyms

9 names

2-Biphenylcarboxaldehyde
2-Phenylbenzaldehyde
2-Formyl-1,1′-biphenyl
2-Formylbiphenyl
o-Formylphenyl benzene
o-Phenylbenzaldehyde
[1,1′-Biphenyl]-2-carbaldehyde
Biphenyl-2-carbaldehyde
(1,1'-Biphenyl)-2-carboxaldehyde

Work with [1,1′-Biphenyl]-2-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

(1,1'-Biphenyl)-2,2'-dicarboxaldehyde1210-05-573 % similar 2-(4-Pyridinyl)benzaldehyde176526-00-470 % similar 2-(4-Fluorophenyl)benzaldehyde192863-46-068 % similar 2-(Pyrimidin-5-yl)benzaldehyde640769-71-762 % similar 2-[4-(Trifluoromethyl)phenyl]benzaldehyde84392-23-461 % similar Phthalaldehyde643-79-859 % similar 2′-Fluoro[1,1′-biphenyl]-2-carboxaldehyde223575-95-955 % similar 2-Thiophen-2-yl-benzaldehyde99902-07-552 % similar

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

Same formula

Benzophenone119-61-9 [1,1′-Biphenyl]-3-carboxaldehyde1204-60-0 Fluorenol1689-64-1 [1,1′-Biphenyl]-4-carboxaldehyde3218-36-8 Atractylodin55290-63-6 Xanthene92-83-1

Elsewhere

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