2,6-Dimethoxybenzoyl chloride

C₉H₉ClO₃CAS 1989-53-3200.62 g/mol

Open in Covalent MOL file

Acyl halide Ether

Properties

Molecular formula: C₉H₉ClO₃
Molar mass: 200.62 g/mol
Exact mass: 200.0240 Da
Melting point: 64–66 °C
Boiling point: 125–132 °C (at 0.2 Torr)
logP: 2.08Crippen estimate
Polar surface area: 35.5 Å²
H-bond donors / acceptors: 0 / 3
Rotatable bonds: 3

Hazards

Danger

H314 Causes severe skin burns and eye damage100% of notifiers
H318 Causes serious eye damage90.9% of notifiers

Aggregated from 44 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

1989-53-3

SMILES

COc1cccc(OC)c1C(=O)Cl

InChIKey

NDXRPDJVAUCBOH-UHFFFAOYSA-N

InChI

InChI=1S/C9H9ClO3/c1-12-6-4-3-5-7(13-2)8(6)9(10)11/h3-5H,1-2H3

Weigh it out

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

Names and synonyms

1 names

Benzoyl chloride, 2,6-dimethoxy-

Work with 2,6-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

2-Fluoro-6-methoxybenzoyl chlorid500912-12-975 % similar 2-Methoxybenzoyl chloride21615-34-965 % similar 1-(2,6-Dimethoxyphenyl)ethanone2040-04-258 % similar 2,6-Dimethoxybenzoic acid1466-76-856 % similar Methyl 2,6-dimethoxybenzoate2065-27-256 % similar 5-Chloro-2-methoxybenzoyl chloride29568-33-053 % similar 3-Methoxybenzoyl chloride1711-05-351 % similar 3,4,5-Trimethoxybenzoyl chloride4521-61-350 % 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-(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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