[1,1′-Biphenyl]-4,4′-dicarboxaldehyde

C₁₄H₁₀O₂CAS 66-98-8210.23 g/mol

Open in Covalent MOL file

Aldehyde

Properties

Molecular formula: C₁₄H₁₀O₂
Molar mass: 210.23 g/mol
Exact mass: 210.0681 Da
Melting point: 211–212 °C
logP: 2.98Crippen estimate
Polar surface area: 34.1 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 3

Hazards

Warning

H302 Harmful if swallowed50% of notifiers
H315 Causes skin irritation50% of notifiers
H319 Causes serious eye irritation50% of notifiers
H335 May cause respiratory irritation50% of notifiers
H411 Toxic to aquatic life with long lasting effects50% of notifiers

Aggregated from 2 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P273, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P391, P403+P233, P405, P501

Identifiers

CAS number

66-98-8

SMILES

O=Cc1ccc(-c2ccc(C=O)cc2)cc1

InChIKey

FEHLIYXNTWAEBQ-UHFFFAOYSA-N

InChI

InChI=1S/C14H10O2/c15-9-11-1-5-13(6-2-11)14-7-3-12(10-16)4-8-14/h1-10H

Weigh it out

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

Names and synonyms

9 names

4,4′-Biphenyldicarboxaldehyde
Biphenyl-4,4′-dialdehyde
4,4′-Diformylbiphenyl
p,p′-Diformylbiphenyl
4,4′-Diformyl-1,1′-biphenyl
4,4′-Bisformylbiphenyl
4,4′-Diformyldiphenyl
4,4′-Biphenyl dicarboxyaldehyde
[1,1′-Biphenyl]-4,4′-dicarbaldehyde

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

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

1,3,5-Tris(4-formylphenyl)benzene118688-53-283 % similar 1,4-Benzenedicarboxaldehyde623-27-880 % similar [1,1′-Biphenyl]-4-carboxaldehyde3218-36-879 % similar 4',4''',4''''',4'''''''-(Ethene-1,1,2,2-tetrayl)tetrakis(([1,1'-biphenyl]-4-carbaldehyde))1624970-54-271 % similar 4'-Methylbiphenyl-4-carbaldehyde36393-42-771 % similar 4'-Fluorobiphenyl-4-carbaldehyde60992-98-571 % similar 4-(4-Pyridinyl)benzaldehyde99163-12-971 % similar 4-[2,4,5-Tris(4-formylphenyl)phenyl]benzaldehyde883835-33-470 % similar

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

Same formula

(1,1'-Biphenyl)-2,2'-dicarboxaldehyde1210-05-5 Benzil134-81-6 Fluorene-9-carboxylic acid1989-33-9 Dibenz[b,e]oxepin-11(6H)-one4504-87-4 3-Phenylphthalide5398-11-8 9H-Fluorene-1-carboxylic acid6276-03-5

Elsewhere

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