chempirical

4-Methoxybenzoyl chloride

C8H7ClO2CAS 100-07-2170.59 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
Density
1.261 g/mL (at 20 °C)
Melting point
24–25 °C
Boiling point
262–263 °C
logP
2.07Crippen estimate
Polar surface area
26.3 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
2

Hazards

Danger
Corrosive (GHS05)

Aggregated from 79 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
100-07-2
SMILES
COc1ccc(C(=O)Cl)cc1
InChIKey
MXMOTZIXVICDSD-UHFFFAOYSA-N
InChI
InChI=1S/C8H7ClO2/c1-11-7-4-2-6(3-5-7)8(9)10/h2-5H,1H3

Weigh it out

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

Names and synonyms

10 names
  • Benzoyl chloride, 4-methoxy-
  • p-Anisoyl chloride
  • p-Methoxybenzoyl chloride
  • Anisoyl chloride
  • p-Methoxybenzoic acid chloride
  • 4-Methoxybenzoic acid chloride
  • 4-Anisoyl chloride
  • para-Anisoyl chloride
  • NSC 86125
  • 4-Methoxyphenylchloroform

Safety data sheets

One stored sheet lists this compound in section 3, matched by the CAS number 100-07-2. Each row opens the sheet with its composition and PDF.

Open in the SDS library

Work with 4-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 Boiling point under vacuumAt any pressure, from its normal boiling point Isotope patternExact mass and the mass spectrum pattern

Similar compounds

4,4′-Oxydibenzoyl chloride7158-32-967 % similar 3,5-Dimethoxybenzoyl chloride17213-57-966 % similar Terephthaloyl chloride100-20-963 % similar 4,4′-Dimethoxybenzil1226-42-261 % similar 4,4′-Dimethoxybenzophenone90-96-061 % similar 4-Ethoxybenzoyl chloride16331-46-759 % similar 3,4-Dimethoxybenzoyl chloride3535-37-359 % similar Methyl 4-(chlorocarbonyl)benzoate7377-26-658 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

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-Methoxybenzoyl chloride1711-05-3 (3-Chlorophenyl)acetic acid1878-65-5 (4-Chlorophenyl)acetic acid1878-66-6

Elsewhere

PubChem CAS Common Chemistry NIST WebBook