3,4-Dichlorobenzyl chloride
Properties
- Molecular formula
- C7H5Cl3
- Molar mass
- 195.47 g/mol
- Exact mass
- 193.9457 Da
- Density
- 1.4073 g/mL (at 20 °C)
- Melting point
- 37.5 °C
- Boiling point
- 241 °C
- logP
- 3.73Crippen estimate
- Polar surface area
- 0.0 Ų
- H-bond donors / acceptors
- 0 / 0
- Rotatable bonds
- 1
Identifiers
CAS number
102-47-6SMILES
ClCc1ccc(Cl)c(Cl)c1InChIKey
YZIFVWOCPGPNHB-UHFFFAOYSA-NInChI
InChI=1S/C7H5Cl3/c8-4-5-1-2-6(9)7(10)3-5/h1-3H,4H2Weigh it out
Type any one amount. The others follow from the molar mass and density.
Names and synonyms
9 names
- Benzene, 1,2-dichloro-4-(chloromethyl)-
- Toluene, α,3,4-trichloro-
- 1,2-Dichloro-4-(chloromethyl)benzene
- α,3,4-Trichlorotoluene
- 3,4-Dichlorophenylmethyl chloride
- 3,4,α-Trichlorotoluene
- NSC 406893
- 3,4-Dichloro-1-(chloromethyl)benzene
- 4-Chloromethyl-1,2-dichlorobenzene
Work with 3,4-Dichlorobenzyl 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
2-Chloro-4-(chloromethyl)-1-methylbenzene2719-40-663 % similar
3,4-Dichlorobenzenemethanamine102-49-858 % similar
3,4-Dichlorobenzenemethanol1805-32-958 % similar
3,4-Dichlorobenzyl bromide18880-04-158 % similar
1,3-Bis(chloromethyl)benzene626-16-457 % similar
Xylylene dichloride623-25-652 % similar
3,4-Dichlorobenzeneacetonitrile3218-49-352 % similar
3,4-Dichlorophenylmethanesulfonyl chloride85952-30-348 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds