chempirical

3-Methoxybenzyl chloride

C8H9ClOCAS 824-98-6156.61 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
Melting point
37–41 °C
Boiling point
124 °C (at 13 Torr)
logP
2.43Crippen estimate
Polar surface area
9.2 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
2

Identifiers

CAS number
824-98-6
SMILES
COc1cccc(CCl)c1
InChIKey
VGISFWWEOGVMED-UHFFFAOYSA-N
InChI
InChI=1S/C8H9ClO/c1-10-8-4-2-3-7(5-8)6-9/h2-5H,6H2,1H3

Weigh it out

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

Names and synonyms

11 names
  • 5-Methoxybenzyl chloride
  • Benzene, 1-(chloromethyl)-3-methoxy-
  • Anisole, m-(chloromethyl)-
  • 1-(Chloromethyl)-3-methoxybenzene
  • α-Chloro-m-methoxytoluene
  • m-(Chloromethyl)anisole
  • m-Methoxybenzyl chloride
  • (3-Methoxyphenyl)methyl chloride
  • 3-(Chloromethyl)anisole
  • NSC 268684
  • 3-(Chloromethyl)phenyl methyl ether

Work with 3-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 Isotope patternExact mass and the mass spectrum pattern

Similar compounds

3-Methoxybenzylamine5071-96-561 % similar 3-Phenoxybenzyl chloride53874-66-161 % similar 3-Methoxybenzyl alcohol6971-51-361 % similar 4-Methoxybenzyl chloride824-94-259 % similar 1,3-Dimethoxybenzene151-10-058 % similar 1,3-Bis(chloromethyl)benzene626-16-458 % similar 3-Methoxyphenethylamine2039-67-058 % similar 3-Methoxybenzeneethanol5020-41-758 % 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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