chempirical

1,3-Bis(chloromethyl)benzene

C8H8Cl2CAS 626-16-4175.05 g/mol

Open in Covalent MOL file
ClCl
Alkyl halide

Properties

Molecular formula
C8H8Cl2
Molar mass
175.05 g/mol
Exact mass
174.0003 Da
Melting point
34.2 °C
Boiling point
251.5 °C
logP
3.16Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
0 / 0
Rotatable bonds
2

Identifiers

CAS number
626-16-4
SMILES
ClCc1cccc(CCl)c1
InChIKey
GRJWOKACBGZOKT-UHFFFAOYSA-N
InChI
InChI=1S/C8H8Cl2/c9-5-7-2-1-3-8(4-7)6-10/h1-4H,5-6H2

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

Names and synonyms

9 names
  • Benzene, 1,3-bis(chloromethyl)-
  • m-Xylene, α,α′-dichloro-
  • m-Xylylene dichloride
  • α,α′-Dichloro-m-xylene
  • m-Bis(chloromethyl)benzene
  • m-Xylene dichloride
  • NSC 96971
  • 3-(Chloromethyl)benzyl chloride
  • α′,α′-Dichloro-m-xylene

Work with 1,3-Bis(chloromethyl)benzene

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-Chlorobenzyl chloride620-20-271 % similar 3-Fluorobenzyl chloride456-42-868 % similar 3-Methylbenzyl chloride620-19-965 % similar Benzyl chloride100-44-763 % similar 3-Phenoxybenzyl chloride53874-66-158 % similar 3-(Chloromethyl)benzonitrile64407-07-458 % similar 3-(Trifluoromethyl)benzyl chloride705-29-358 % similar 3-Methoxybenzyl chloride824-98-658 % similar

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

Same formula

2,5-Dichloro-P-xylene1124-05-6 2-Chloro-4-(chloromethyl)-1-methylbenzene2719-40-6 α,Α′-Dichloro-O-xylene612-12-4 Xylylene dichloride623-25-6

Elsewhere

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