5-Chlorosalicylaldehyde

C₇H₅ClO₂CAS 635-93-8156.56 g/mol

Open in Covalent MOL file

Aldehyde Aryl halide Phenol

Properties

Molecular formula: C₇H₅ClO₂
Molar mass: 156.56 g/mol
Exact mass: 155.9978 Da
Melting point: 100.3 °C
logP: 1.86Crippen estimate
Polar surface area: 37.3 Å²
H-bond donors / acceptors: 1 / 2
Rotatable bonds: 1

Hazards

Warning

H315 Causes skin irritation98% of notifiers
H319 Causes serious eye irritation98% of notifiers
H335 May cause respiratory irritation96% of notifiers
H400 Very toxic to aquatic life86% of notifiers

Aggregated from 50 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

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

Identifiers

CAS number

635-93-8

SMILES

O=Cc1cc(Cl)ccc1O

InChIKey

FUGKCSRLAQKUHG-UHFFFAOYSA-N

InChI

InChI=1S/C7H5ClO2/c8-6-1-2-7(10)5(3-6)4-9/h1-4,10H

Weigh it out

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

Names and synonyms

9 names

Benzaldehyde, 5-chloro-2-hydroxy-
Salicylaldehyde, 5-chloro-
5-Chloro-2-hydroxybenzaldehyde
2-Hydroxy-5-chlorobenzaldehyde
4-Chloro-2-formylphenol
5-Chloro-o-salicylaldehyde
3-Chloro-6-hydroxybenzaldehyde
NSC 3811
5-Chlorosalicyaldehyde

Work with 5-Chlorosalicylaldehyde

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

2,5-Dihydroxybenzaldehyde1194-98-560 % similar 4-Hydroxyisophthalaldehyde3328-70-960 % similar 2,5-Dichlorobenzaldehyde6361-23-560 % similar 2,4-Dichlorobenzaldehyde874-42-060 % similar 2-Bromo-5-chlorobenzaldehyde174265-12-456 % similar 5-Bromosalicylaldehyde1761-61-156 % similar 5-Iodosalicylaldehyde1761-62-256 % similar 5-Bromosalicylaldehyde17691-61-156 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

2-Chlorobenzoic acid118-91-2 2-Chloro-6-hydroxybenzaldehyde18362-30-6 Phenyl chloroformate1885-14-9 3-Chloro-2-hydroxy-benzaldehyde1927-94-2 2-Chloro-5-methyl-1,4-benzoquinone19832-87-2 3-Chloro-4-hydroxybenzaldehyde2420-16-8 4-Chloro-2-hydroxybenzaldehyde2420-26-0 3-Chlorobenzoic acid535-80-8

Elsewhere

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