2-Chloro-3,4-dimethoxybenzaldehyde

C9H9ClO3CAS 5417-17-4200.62 g/mol

Open in Covalent MOL file
OOClO
AldehydeAryl halideEther

Properties

Molecular formula
C9H9ClO3
Molar mass
200.62 g/mol
Exact mass
200.0240 Da
Melting point
69–70 °C
logP
2.17Crippen estimate
Polar surface area
35.5 Ų
H-bond donors / acceptors
0 / 3
Rotatable bonds
3

Hazards

Warning
Irritant (GHS07)

Aggregated from 2 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
5417-17-4
SMILES
COc1ccc(C=O)c(Cl)c1OC
InChIKey
SAWHDJTZESXNMM-UHFFFAOYSA-N
InChI
InChI=1S/C9H9ClO3/c1-12-7-4-3-6(5-11)8(10)9(7)13-2/h3-5H,1-2H3

Weigh it out

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

Names and synonyms

4 names
  • Benzaldehyde, 2-chloro-3,4-dimethoxy-
  • Veratraldehyde, 2-chloro-
  • 2-Chloroveratraldehyde
  • NSC 7375

Work with 2-Chloro-3,4-dimethoxybenzaldehyde

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

2,3,4-Trimethoxybenzaldehyde2103-57-371 % similar 2-Chloro-3-methoxybenzaldehyde54881-49-165 % similar 2,3-Dimethoxybenzaldehyde86-51-162 % similar 2-Hydroxy-3,4-dimethoxybenzaldehyde19283-70-661 % similar 2,5-Dimethoxybenzaldehyde93-02-754 % similar 5-Chloro-2-methoxybenzaldehyde7035-09-854 % similar 6-Formyl-2,3-dimethoxybenzoic acid519-05-154 % similar 4-Methoxy-2,3-dimethylbenzaldehyde38998-17-353 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

(±)-2-(3-Chlorophenoxy)propionic acid101-10-0 3,5-Dimethoxybenzoyl chloride17213-57-9 2,5-Dimethoxybenzoyl chloride17918-14-8 2,6-Dimethoxybenzoyl chloride1989-53-3 2-(2-Chlorophenoxy)propionic acid25140-86-7 3-(4-Chlorophenoxy)propanoic acid3284-79-5 2-(4-Chlorophenoxy)propionic acid3307-39-9 Methyl 5-chloro-2-methoxybenzoate33924-48-0

Elsewhere

PubChem CAS Common Chemistry NIST WebBook