[(Chlorodimethylsilyl)methyl]benzene

C9H13ClSiCAS 1833-31-4184.74 g/mol

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SiCl

Properties

Molecular formula
C9H13ClSi
Molar mass
184.74 g/mol
Exact mass
184.0475 Da
Density
0.95 g/mL
Boiling point
75–76 °C (at 15 Torr)
logP
3.21Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
0 / 0
Rotatable bonds
2

Hazards

Danger
Corrosive (GHS05)

Aggregated from 40 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

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

Identifiers

CAS number
1833-31-4
SMILES
C[Si](C)(Cl)Cc1ccccc1
InChIKey
ABHNFDUSOVXXOA-UHFFFAOYSA-N
InChI
InChI=1S/C9H13ClSi/c1-11(2,10)8-9-6-4-3-5-7-9/h3-7H,8H2,1-2H3
Characterization data

Calculated from the structure, in the form journals print them.

¹H NMR
Predicted ¹H NMR (400 MHz, CDCl₃) δ 7.25 (m, J = 7.7 Hz, 2H), 7.18 (m, J = 7.7, 1.6 Hz, 2H), 7.15 (m, J = 7.7, 1.6 Hz, 1H), 1.86 (s, 2H), 0.00 (s, 6H).
¹³C NMR
Predicted ¹³C NMR (101 MHz, CDCl₃) δ 137.7, 129.1, 128.3, 125.5, 22.1, 0.0.
[M + H]+
[M + H]+ Calcd for C9H14ClSi 185.0548
[M + Na]+
[M + Na]+ Calcd for C9H13ClNaSi 207.0367
[M − H]−
[M − H]− Calcd for C9H12ClSi 183.0402
Elemental analysis
Anal. Calcd for C9H13ClSi: C, 58.51; H, 7.09.

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Names and synonyms

7 names
  • Benzene, [(chlorodimethylsilyl)methyl]-
  • Silane, benzylchlorodimethyl-
  • Silane, chlorodimethyl(phenylmethyl)-
  • Benzyldimethylchlorosilane
  • Benzylchlorodimethylsilane
  • Benzyldimethylsilyl chloride
  • Phenylmethylchlorodimethylsilane

Work with [(Chlorodimethylsilyl)methyl]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 Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Chlorodimethyl(3-phenylpropyl)silane17146-09-763 % similar Benzyltrimethylsilane770-09-256 % similar [(Trichlorosilyl)methyl]benzene770-10-556 % similar [2-(Trichlorosilyl)ethyl]benzene940-41-043 % similar Benzyltriethoxysilane2549-99-742 % similar N-[(Trimethylsilyl)methyl]benzylamine53215-95-542 % similar 3-Phenylpropyltrichlorosilane13617-40-841 % similar Benzyloxytrimethylsilane14642-79-640 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

[(Chloromethyl)dimethylsilyl]benzene1833-51-8

Elsewhere

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