3,5-Dimethoxybenzoyl chloride

C9H9ClO3CAS 17213-57-9200.62 g/mol

Open in Covalent MOL file
OOOCl
Acyl halideEther

Properties

Molecular formula
C9H9ClO3
Molar mass
200.62 g/mol
Exact mass
200.0240 Da
Melting point
35–38 °C
Boiling point
163–165 °C (at NaN Torr)
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 44 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
17213-57-9
SMILES
COc1cc(OC)cc(C(=O)Cl)c1
InChIKey
FTHPLWDYWAKYCY-UHFFFAOYSA-N
InChI
InChI=1S/C9H9ClO3/c1-12-7-3-6(9(10)11)4-8(5-7)13-2/h3-5H,1-2H3

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Names and synonyms

4 names
  • Benzoyl chloride, 3,5-dimethoxy-
  • 3,5-Dimethoxybenzoic acid chloride
  • NSC 156082
  • 3,5-Methoxybenzoyl chloride

Work with 3,5-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 Isotope patternExact mass and the mass spectrum pattern

Similar compounds

3-Methoxybenzoyl chloride1711-05-368 % similar 4-Methoxybenzoyl chloride100-07-266 % similar 3,4,5-Trimethoxybenzoyl chloride4521-61-361 % similar 1-(3,5-Dimethoxyphenyl)ethan-1-one39151-19-457 % similar Trimesoyl chloride4422-95-156 % similar 3,5-Dimethoxybenzoic acid1132-21-455 % similar Methyl 3,5-dimethoxybenzoate2150-37-055 % similar 2-Chloro-6-methoxyisonicotinoyl chloride116853-97-553 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

(±)-2-(3-Chlorophenoxy)propionic acid101-10-0 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 3,4-Dimethoxybenzoyl chloride3535-37-3

Elsewhere

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