chempirical

Trichloro[4-(chloromethyl)phenyl]silane

C7H6Cl4SiCAS 13688-90-9260.01 g/mol

Open in Covalent MOL file
ClSiClClCl
Alkyl halide

Properties

Molecular formula
C7H6Cl4Si
Molar mass
260.01 g/mol
Exact mass
257.8993 Da
Density
1.36 g/mL
Boiling point
142–144 °C (at 15 Torr)
logP
3.29Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
0 / 0
Rotatable bonds
2

Identifiers

CAS number
13688-90-9
SMILES
ClCc1ccc([Si](Cl)(Cl)Cl)cc1
InChIKey
YBYBQFPZMKPGPJ-UHFFFAOYSA-N
InChI
InChI=1S/C7H6Cl4Si/c8-5-6-1-3-7(4-2-6)12(9,10)11/h1-4H,5H2

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Names and synonyms

7 names
  • Benzene, 1-(chloromethyl)-4-(trichlorosilyl)-
  • Silane, trichloro(α-chloro-p-tolyl)-
  • Silane, trichloro[4-(chloromethyl)phenyl]-
  • 1-(Chloromethyl)-4-(trichlorosilyl)benzene
  • [4-(Chloromethyl)phenyl]trichlorosilane
  • [p-(Chloromethyl)phenyl]trichlorosilane
  • 4-(Trichlorosilyl)benzyl chloride

Work with Trichloro[4-(chloromethyl)phenyl]silane

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

Xylylene dichloride623-25-660 % similar 4,4′-Bis(chloromethyl)biphenyl1667-10-352 % similar 4-Chlorobenzyl chloride104-83-648 % similar 1-Chloro-4-(trichlorosilyl)benzene825-94-548 % similar 4-Methylbenzyl chloride104-82-546 % similar 4-Ethylbenzyl chloride1467-05-646 % similar 4-Bromobenzyl chloride589-17-346 % similar 1-Methyl-4-(trichlorosilyl)benzene701-35-946 % similar

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

Elsewhere

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