3-Chlorobenzyl chloride
Properties
- Molecular formula
- C7H6Cl2
- Molar mass
- 161.02 g/mol
- Exact mass
- 159.9847 Da
- Density
- 1.262 g/mL (at 20 °C)
- Melting point
- 32–34 °C
- Boiling point
- 216 °C
- logP
- 3.08Crippen estimate
- Polar surface area
- 0.0 Ų
- H-bond donors / acceptors
- 0 / 0
- Rotatable bonds
- 1
Identifiers
CAS number
620-20-2SMILES
ClCc1cccc(Cl)c1InChIKey
DDGRAFHHXYIQQR-UHFFFAOYSA-NInChI
InChI=1S/C7H6Cl2/c8-5-6-2-1-3-7(9)4-6/h1-4H,5H2Weigh it out
Type any one amount. The others follow from the molar mass and density.
Names and synonyms
9 names
- Benzene, 1-chloro-3-(chloromethyl)-
- Toluene, m,α-dichloro-
- 1-Chloro-3-(chloromethyl)benzene
- m-Chlorobenzyl chloride
- m,α-Dichlorotoluene
- α,3-Dichlorotoluene
- α,m-Dichlorotoluene
- m-Chlorophenylmethyl chloride
- NSC 76577
Work with 3-Chlorobenzyl 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
1,3-Bis(chloromethyl)benzene626-16-471 % similar
3-Chlorobenzylamine4152-90-358 % similar
3-Fluorobenzyl chloride456-42-858 % similar
3-Chlorobenzyl bromide766-80-358 % similar
3-Chlorobenzyl alcohol873-63-258 % similar
3-Methylbenzyl chloride620-19-956 % similar
2-(3-Chlorophenyl)ethylamine13078-79-054 % similar
2-(3-Chlorophenyl)ethanol5182-44-554 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds