chempirical

2,4,6-Trichlorobenzaldehyde

C7H3Cl3OCAS 24473-00-5209.45 g/mol

Open in Covalent MOL file
ClOClCl
AldehydeAryl halide

Properties

Molecular formula
C7H3Cl3O
Molar mass
209.45 g/mol
Exact mass
207.9249 Da
logP
3.46Crippen estimate
Polar surface area
17.1 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
1

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number
24473-00-5
SMILES
C1=C(C=C(C(=C1Cl)C=O)Cl)Cl
InChIKey
TWFSYIOOAAYYAL-UHFFFAOYSA-N
InChI
InChI=1S/C7H3Cl3O/c8-4-1-6(9)5(3-11)7(10)2-4/h1-3H

Weigh it out

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

Work with 2,4,6-Trichlorobenzaldehyde

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-Dichloro-6-fluorobenzaldehyde681435-09-670 % similar 2,4-Dichloro-6-hydroxybenzaldehyde78443-72-870 % similar 2,6-Dichlorobenzaldehyde83-38-565 % similar 4-Chloro-2,6-difluorobenzaldehyde252004-45-856 % similar 3,5-Dichloro-4-formyl pyridine136590-83-554 % similar 2,4-Dichlorobenzaldehyde874-42-054 % similar 3,5-Dichlorosalicylaldehyde90-60-853 % similar 3,5-Dichlorobenzaldehyde10203-08-452 % similar

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

Same formula

2,3-Dichlorobenzoyl chloride2905-60-4 2,5-Dichlorobenzoyl chloride2905-61-5 3,5-Dichlorobenzoyl chloride2905-62-6 3,4-Dichlorobenzoyl chloride3024-72-4 2,6-Dichlorobenzoyl chloride4659-45-4 2,3,6-Trichlorobenzaldehyde4659-47-6 2,3,5-Trichlorobenzaldehyde56961-75-2 2,4-Dichlorobenzoyl chloride89-75-8

Elsewhere

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