3-Methoxybenzoyl chloride

C8H7ClO2CAS 1711-05-3170.59 g/mol

Open in Covalent MOL file
OOCl
Acyl halideEther

Properties

Molecular formula
C8H7ClO2
Molar mass
170.59 g/mol
Exact mass
170.0135 Da
Boiling point
118–120 °C (at 11 Torr)
logP
2.07Crippen estimate
Polar surface area
26.3 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
2

Hazards

Danger
Corrosive (GHS05)Irritant (GHS07)

Aggregated from 48 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P260, P261, P264, P271, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P319, P321, P363, P403+P233, P405, P501

Identifiers

CAS number
1711-05-3
SMILES
COc1cccc(C(=O)Cl)c1
InChIKey
RUQIUASLAXJZIE-UHFFFAOYSA-N
InChI
InChI=1S/C8H7ClO2/c1-11-7-4-2-3-6(5-7)8(9)10/h2-5H,1H3

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Names and synonyms

5 names
  • Benzoyl chloride, 3-methoxy-
  • m-Anisoyl chloride
  • m-Methoxybenzoyl chloride
  • 3-Methoxybenzoic acid chloride
  • 3-Anisoyl chloride

Work with 3-Methoxybenzoyl 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

3,5-Dimethoxybenzoyl chloride17213-57-968 % similar 3-Ethoxybenzoyl chloride61956-65-864 % similar Isophthaloyl chloride99-63-862 % similar 3-Methoxyacetophenone586-37-862 % similar Methyl m-methoxybenzoate5368-81-060 % similar 3-Methoxybenzoic acid586-38-960 % similar 3-(Trifluoromethoxy)benzoyl chloride86270-03-359 % similar 3,4-Dimethoxybenzoyl chloride3535-37-357 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

4-Methoxybenzoyl chloride100-07-2 Methyl 4-chlorobenzoate1126-46-1 4-Chloro-3-methoxybenzaldehyde13726-16-4 5′-Chloro-2′-hydroxyacetophenone1450-74-4 2-Chloro-3-methylbenzoic acid15068-35-6 4-(Chloromethyl)benzoic acid1642-81-5 (3-Chlorophenyl)acetic acid1878-65-5 (4-Chlorophenyl)acetic acid1878-66-6

Elsewhere

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