2,4-Dichloro-6-hydroxybenzaldehyde

C7H4Cl2O2CAS 78443-72-8191.01 g/mol

Open in Covalent MOL file
HOOClCl
AldehydeAryl halidePhenol

Properties

Molecular formula
C7H4Cl2O2
Molar mass
191.01 g/mol
Exact mass
189.9588 Da
logP
2.51Crippen estimate
Polar surface area
37.3 Ų
H-bond donors / acceptors
1 / 2
Rotatable bonds
1

Hazards

Warning
Irritant (GHS07)

Aggregated from 5 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
78443-72-8
SMILES
C1=C(C=C(C(=C1O)C=O)Cl)Cl
InChIKey
XFYKHXQQNRESHU-UHFFFAOYSA-N
InChI
InChI=1S/C7H4Cl2O2/c8-4-1-6(9)5(3-10)7(11)2-4/h1-3,11H

Weigh it out

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

Work with 2,4-Dichloro-6-hydroxybenzaldehyde

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

2,4,6-Trichlorobenzaldehyde24473-00-570 % similar 2-Chloro-6-hydroxybenzaldehyde18362-30-663 % similar 2,4-Dichloro-6-fluorobenzaldehyde681435-09-658 % similar 3,5-Dichlorosalicylaldehyde90-60-853 % similar 2,3,5-Trichlorophenol933-78-852 % similar 4-Chloro-2-hydroxybenzaldehyde2420-26-052 % similar 2,4-Dichlorobenzaldehyde874-42-048 % similar 2,4,6-Trihydroxybenzaldehyde487-70-748 % 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

PubChem CAS Common Chemistry NIST WebBook