3'-Chloro-[1,1'-biphenyl]-4-carbaldehyde

C₁₃H₉ClOCAS 400744-49-2216.66 g/mol

Open in Covalent MOL file

Aldehyde Aryl halide

Properties

Molecular formula: C₁₃H₉ClO
Molar mass: 216.66 g/mol
Exact mass: 216.0342 Da
logP: 3.82Crippen estimate
Polar surface area: 17.1 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 2

Hazards

Warning

H302 Harmful if swallowed100% of notifiers
H312 Harmful in contact with skin100% of notifiers
H315 Causes skin irritation66.7% of notifiers
H319 Causes serious eye irritation66.7% of notifiers
H332 Harmful if inhaled100% of notifiers
H335 May cause respiratory irritation66.7% of notifiers

Aggregated from 3 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, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

400744-49-2

SMILES

C1=CC(=CC(=C1)Cl)C2=CC=C(C=C2)C=O

InChIKey

SQMLKQSDIZEGRP-UHFFFAOYSA-N

InChI

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

Weigh it out

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

Names and synonyms

1 names

3'-Chlorobiphenyl-4-carbaldehyde

Work with 3'-Chloro-[1,1'-biphenyl]-4-carbaldehyde

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

3′,5′-Dichloro[1,1′-biphenyl]-4-carboxaldehyde221018-04-872 % similar 3'-Fluoro-[1,1'-biphenyl]-4-carbaldehyde400750-63-263 % similar 3-Chlorobenzaldehyde587-04-262 % similar [1,1′-Biphenyl]-4-carboxaldehyde3218-36-861 % similar 4-(3-Methylphenyl)benzaldehyde400744-83-461 % similar 4-(3,4-Dichlorophenyl)benzaldehyde50670-78-559 % similar [1,1′-Biphenyl]-4,4′-dicarboxaldehyde66-98-858 % similar 4-Chlorobenzaldehyde104-88-157 % 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 [1,1′-Biphenyl]-4-carbonyl chloride14002-51-8 2-Chlorobenzophenone5162-03-8

Elsewhere

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