3,4-Dimethoxybenzoyl chloride

C9H9ClO3CAS 3535-37-3200.62 g/mol

Open in Covalent MOL file
OOClO
Acyl halideEther

Properties

Molecular formula
C9H9ClO3
Molar mass
200.62 g/mol
Exact mass
200.0240 Da
Melting point
68–69 °C
Boiling point
290 °C
logP
2.08Crippen estimate
Polar surface area
35.5 Ų
H-bond donors / acceptors
0 / 3
Rotatable bonds
3

Hazards

Danger
Corrosive (GHS05)

Aggregated from 46 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P260, P264, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P363, P405, P501

Identifiers

CAS number
3535-37-3
SMILES
COc1ccc(C(=O)Cl)cc1OC
InChIKey
VIOBGCWEHLRBEP-UHFFFAOYSA-N
InChI
InChI=1S/C9H9ClO3/c1-12-7-4-3-6(9(10)11)5-8(7)13-2/h3-5H,1-2H3

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Names and synonyms

6 names
  • Benzoyl chloride, 3,4-dimethoxy-
  • Veratroyl chloride
  • Veratric acid chloride
  • 3,4-Dimethoxybenzoic acid chloride
  • 3,4-Dimethoxy-1-benzenecarbonyl chloride
  • 3,4-Dimethoxyphenylcarbonyl chloride

Work with 3,4-Dimethoxybenzoyl chloride

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 Boiling point under vacuumAt any pressure, from its normal boiling point Isotope patternExact mass and the mass spectrum pattern

Similar compounds

3-Fluoro-4-methoxybenzoyl chloride3907-15-171 % similar 3,4,5-Trimethoxybenzoyl chloride4521-61-366 % similar 4-Methoxy-3-(trifluoromethyl)benzoyl chloride98187-18-965 % similar 3,4-Dimethoxyacetophenone1131-62-061 % similar 4-Methoxybenzoyl chloride100-07-259 % similar Methyl 3,4-dimethoxybenzoate2150-38-159 % similar Piperonyloyl chloride25054-53-959 % similar Veratric acid93-07-259 % 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

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