2,5-Dimethoxybenzoyl chloride

C9H9ClO3CAS 17918-14-8200.62 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
53–54 °C
Boiling point
163–164 °C (at 15 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 2 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P260, P264, P264+P265, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P363, P405, P501

Identifiers

CAS number
17918-14-8
SMILES
COc1ccc(OC)c(C(=O)Cl)c1
InChIKey
YARKPRSRXZGKNI-UHFFFAOYSA-N
InChI
InChI=1S/C9H9ClO3/c1-12-6-3-4-8(13-2)7(5-6)9(10)11/h3-5H,1-2H3

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Names and synonyms

2 names
  • Benzoyl chloride, 2,5-dimethoxy-
  • 2,5-Dimethoxyphenylcarbonyl chloride

Work with 2,5-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

5-Chloro-2-methoxybenzoyl chloride29568-33-069 % similar 2-Bromo-5-methoxybenzoyl chloride56658-04-967 % similar 2',5'-Dimethoxyacetophenone1201-38-363 % similar 2-Fluoro-4-methoxybenzoylchloride321-24-462 % similar 2-Methoxybenzoyl chloride21615-34-962 % similar 2,5-Dimethoxybenzoic acid2785-98-061 % similar 1-(2,5-Dimethoxyphenyl)-1-propanone5803-30-558 % similar 2-Bromo-2',5'-dimethoxyacetophenone1204-21-356 % 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 2,6-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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