chempirical

4-Methoxybenzyl chloride

C8H9ClOCAS 824-94-2156.61 g/mol

Open in Covalent MOL file
OCl
Alkyl halideEther

Properties

Molecular formula
C8H9ClO
Molar mass
156.61 g/mol
Exact mass
156.0342 Da
Density
1.072 g/mL (at 0 °C)
Melting point
24.5 °C
Boiling point
262.5 °C
logP
2.43Crippen estimate
Polar surface area
9.2 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
2

Identifiers

CAS number
824-94-2
SMILES
COc1ccc(CCl)cc1
InChIKey
MOHYOXXOKFQHDC-UHFFFAOYSA-N
InChI
InChI=1S/C8H9ClO/c1-10-8-4-2-7(6-9)3-5-8/h2-5H,6H2,1H3

Weigh it out

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

Names and synonyms

17 names · show all
  • Benzene, 1-(chloromethyl)-4-methoxy-
  • Anisole, p-(chloromethyl)-
  • 1-(Chloromethyl)-4-methoxybenzene
  • p-Methoxybenzyl chloride
  • p-Anisyl chloride
  • p-(Chloromethyl)anisole
  • α-Chloro-4-methoxytoluene
  • 4-(Chloromethyl)anisole
  • p-(Chloromethyl)(methoxy)benzene
  • 4-(Chloromethyl)-1-methoxybenzene
  • NSC 172955
  • 1-(Chloromethyl)-4-(methyloxy)benzene
  • α-Chloro-p-methoxytoluene
  • 4-(Chloromethyl)phenyl methyl ether
  • 4-Methyloxybenzyl chloride
  • PBMCl
  • PMBCl

Work with 4-Methoxybenzyl 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

1-(2-Chloroethyl)-4-methoxybenzene18217-00-065 % similar 3-Methoxybenzyl chloride824-98-659 % similar 1-Ethyl-4-methoxybenzene1515-95-358 % similar 1,4-Dimethoxybenzene150-78-757 % similar Xylylene dichloride623-25-657 % similar 4-Propylanisole104-45-056 % similar Anisyl alcohol105-13-556 % similar Bis(4-methoxybenzyl)amine17061-62-056 % similar

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

Same formula

4-Chloro-2,6-dimethylphenol1123-63-3 (1R)-1-(3-Chlorophenyl)ethanol120121-01-9 (1R)-1-(2-Chlorophenyl)ethan-1-ol120466-66-2 (S)-1-(2-Chlorophenyl)ethanol131864-71-6 1-Chloro-4-methoxy-2-methylbenzene13334-71-9 (1S)-1-(3-Chlorophenyl)ethan-1-ol135145-34-5 1-(2-Chlorophenyl)ethanol13524-04-4 4-Chloro-3-ethylphenol14143-32-9

Elsewhere

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