[(Chloromethyl)dimethylsilyl]benzene

C9H13ClSiCAS 1833-51-8184.74 g/mol

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SiCl
Alkyl halide

Properties

Molecular formula
C9H13ClSi
Molar mass
184.74 g/mol
Exact mass
184.0475 Da
Density
1.03 g/mL
Boiling point
225 °C
logP
2.38Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
0 / 0
Rotatable bonds
2

Hazards

Warning
Irritant (GHS07)

Aggregated from 41 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
1833-51-8
SMILES
C[Si](C)(CCl)c1ccccc1
InChIKey
RJCTVFQQNCNBHG-UHFFFAOYSA-N
InChI
InChI=1S/C9H13ClSi/c1-11(2,8-10)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 7.58 (dd, J = 7.7, 1.6 Hz, 2H), 7.34 (m, J = 7.7 Hz, 2H), 7.34 (m, J = 7.7, 1.6 Hz, 1H), 2.91 (s, 2H), 0.00 (s, 6H).
¹³C NMR
Predicted ¹³C NMR (101 MHz, CDCl₃) δ 140.0, 133.3, 128.8, 127.7, 30.7, 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

8 names
  • Benzene, [(chloromethyl)dimethylsilyl]-
  • Silane, (chloromethyl)dimethylphenyl-
  • (Chloromethyl)dimethylphenylsilane
  • Phenyldimethyl(chloromethyl)silane
  • Chloromethylphenyldimethylsilane
  • Dimethylphenylsilylmethyl chloride
  • Dimethyl(chloromethyl)phenylsilane
  • NSC 155366

Reactions

Work with [(Chloromethyl)dimethylsilyl]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

Chloro(methyl)diphenylsilane144-79-644 % similar Dichloromethylphenylsilane149-74-644 % similar Chlorodimethylphenylsilane768-33-244 % similar 1,2-Dimethyl-1,1,2,2-tetraphenyldisilane1172-76-544 % similar 1,1′,1′′-(Chlorosilylidyne)tris[benzene]76-86-844 % similar (Trimethylsilyl)benzene768-32-144 % similar 1,1-Dimethyl-1-phenylsilanol5272-18-441 % similar 1,1,3,3-Tetramethyl-1,3-diphenyldisiloxane56-33-739 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

[(Chlorodimethylsilyl)methyl]benzene1833-31-4

Elsewhere

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