3,5-Dichlorosalicylaldehyde

C₇H₄Cl₂O₂CAS 90-60-8191.01 g/mol

Open in Covalent MOL file

Aldehyde Aryl halide Phenol

Properties

Molecular formula: C₇H₄Cl₂O₂
Molar mass: 191.01 g/mol
Exact mass: 189.9588 Da
Melting point: 95 °C
logP: 2.51Crippen estimate
Polar surface area: 37.3 Å²
H-bond donors / acceptors: 1 / 2
Rotatable bonds: 1

Hazards

Warning

H302 Harmful if swallowed13.5% of notifiers
H315 Causes skin irritation100% of notifiers
H317 May cause an allergic skin reaction13.5% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation98.1% of notifiers

Aggregated from 52 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P272, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P333+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

90-60-8

SMILES

O=Cc1cc(Cl)cc(Cl)c1O

InChIKey

FABVMBDCVAJXMB-UHFFFAOYSA-N

InChI

InChI=1S/C7H4Cl2O2/c8-5-1-4(3-10)7(11)6(9)2-5/h1-3,11H

Weigh it out

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

Names and synonyms

6 names

Benzaldehyde, 3,5-dichloro-2-hydroxy-
Salicylaldehyde, 3,5-dichloro-
3,5-Dichloro-2-hydroxybenzaldehyde
2-Hydroxy-3,5-dichlorobenzaldehyde
NSC 96393
2,4-Dichloro-6-formylphenol

Work with 3,5-Dichlorosalicylaldehyde

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-Bromo-5-chlorosalicylaldehyde19652-32-564 % similar 5-Chloro-2-hydroxy-3-methylbenzaldehyde23602-63-364 % similar 3-Chloro-2-hydroxy-benzaldehyde1927-94-261 % similar 2,3,5-Trichlorobenzaldehyde56961-75-261 % similar 2,4,6-Trichlorophenol88-06-259 % similar 2,4,6-Trichlorobenzaldehyde24473-00-553 % similar 2,5-Dichlorobenzaldehyde6361-23-553 % similar 2,4-Dichlorobenzaldehyde874-42-053 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

3,5-Dichloro-4-hydroxybenzaldehyde2314-36-5 2,6-Dichlorobenzoic acid50-30-6 2,3-Dichlorobenzoic acid50-45-3 2,5-Dichlorobenzoic acid50-79-3 2,4-Dichlorobenzoic acid50-84-0 3,5-Dichlorobenzoic acid51-36-5 3,4-Dichlorobenzoic acid51-44-5 4-Chlorophenyl chloroformate7693-45-0

Elsewhere

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