3,4-Dichlorobenzyl chloride

C₇H₅Cl₃CAS 102-47-6195.47 g/mol

Open in Covalent MOL file

Alkyl halide Aryl halide

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 Å²
H-bond donors / acceptors: 0 / 0
Rotatable bonds: 1

Hazards

Danger

H314 Causes severe skin burns and eye damage94.1% of notifiers
H335 May cause respiratory irritation88.2% of notifiers

Aggregated from 51 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P260, P261, P264, P271, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P319, P321, P363, P403+P233, P405, P501

Identifiers

CAS number

102-47-6

SMILES

ClCc1ccc(Cl)c(Cl)c1

InChIKey

YZIFVWOCPGPNHB-UHFFFAOYSA-N

InChI

InChI=1S/C7H5Cl3/c8-4-5-1-2-6(9)7(10)3-5/h1-3H,4H2

Weigh 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

3-Fluoro-4-chlorobenzyl chloride160658-68-463 % similar 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 3,4-Dichlorophenethylamine21581-45-354 % similar 2-(3,4-Dichlorophenyl)ethanol35364-79-554 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

2,6-Dichlorobenzyl chloride2014-83-7 2,3,6-Trichlorotoluene2077-46-5 2,5-Dichlorobenzyl chloride2745-49-5 2,3-Dichlorobenzyl chloride3290-01-5 1,3-Dichloro-5-(chloromethyl)benzene3290-06-0 2,4,5-Trichlorotoluene6639-30-1 2,4-Dichlorobenzyl chloride94-99-5 Benzotrichloride98-07-7

Elsewhere

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