3-Chlorobenzaldehyde

C₇H₅ClOCAS 587-04-2140.57 g/mol

Open in Covalent MOL file

Aldehyde Aryl halide

Properties

Molecular formula: C₇H₅ClO
Molar mass: 140.57 g/mol
Exact mass: 140.0029 Da
Melting point: 17.5 °C
Boiling point: 213.5 °C
logP: 2.15Crippen estimate
Polar surface area: 17.1 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 1

Hazards

Warning

H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation98.9% of notifiers
H335 May cause respiratory irritation97.7% of notifiers

Aggregated from 87 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

587-04-2

SMILES

O=Cc1cccc(Cl)c1

InChIKey

SRWILAKSARHZPR-UHFFFAOYSA-N

InChI

InChI=1S/C7H5ClO/c8-7-3-1-2-6(4-7)5-9/h1-5H

Weigh it out

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

Names and synonyms

6 names

Benzaldehyde, 3-chloro-
Benzaldehyde, m-chloro-
m-Chlorobenzaldehyde
m-Chlorobenzenecarboxaldehyde
NSC 60107
3-Chlorophenylcarboxaldehyde

Reactions

m-CHLOROBENZALDEHYDE (Benzaldehyde, m-chloro-)product

Work with 3-Chlorobenzaldehyde

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

Isophthalaldehyde626-19-768 % similar 3,5-Dichlorobenzaldehyde10203-08-463 % similar 4'-Chlorobiphenyl-3-carbaldehyde139502-80-062 % similar 3'-Chloro-[1,1'-biphenyl]-4-carbaldehyde400744-49-262 % similar 3-Chlorocinnamaldehyde56578-37-159 % similar 3-Chlorostyrene2039-85-256 % similar 3-Fluorobenzaldehyde456-48-456 % similar 3-Hydroxybenzaldehyde100-83-454 % similar

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

Same formula

4-Chlorobenzaldehyde104-88-1 2-Chlorobenzaldehyde89-98-5 Benzoyl chloride98-88-4

Elsewhere

PubChem CAS Common Chemistry NIST WebBook