Chlorodimethyl(3-phenylpropyl)silane

C₁₁H₁₇ClSiCAS 17146-09-7212.79 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₁₁H₁₇ClSi
Molar mass: 212.79 g/mol
Exact mass: 212.0788 Da
Density: 0.96 g/mL
Boiling point: 75 °C (at 0.5 Torr)
logP: 4.06Crippen estimate
Polar surface area: 0.0 Å²
H-bond donors / acceptors: 0 / 0
Rotatable bonds: 4

Hazards

Danger

H290 May be corrosive to metals100% of notifiers
H314 Causes severe skin burns and eye damage100% of notifiers
H318 Causes serious eye damage100% of notifiers

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

Precautionary statements

P234, P260, P264, P264+P265, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P363, P390, P405, P406, P501

Identifiers

CAS number

17146-09-7

SMILES

C[Si](C)(Cl)CCCc1ccccc1

InChIKey

ASSMBLOISZSMMP-UHFFFAOYSA-N

InChI

InChI=1S/C11H17ClSi/c1-13(2,12)10-6-9-11-7-4-3-5-8-11/h3-5,7-8H,6,9-10H2,1-2H3

Characterization data

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

¹H NMR

Predicted ¹H NMR (400 MHz, CDCl₃) δ 7.30 (m, J = 7.7 Hz, 2H), 7.22 (m, J = 7.7, 1.6 Hz, 2H), 7.19 (m, J = 7.7, 1.6 Hz, 1H), 2.63 (t, J = 7.0 Hz, 2H), 1.57 (quint, J = 7.0 Hz, 2H), 0.50 (t, J = 7.0 Hz, 2H), 0.00 (s, 6H).

¹³C NMR

Predicted ¹³C NMR (101 MHz, CDCl₃) δ 144.1, 128.3, 127.8, 125.6, 37.3, 27.2, 15.9, 0.0.

[M + H]+

[M + H]+ Calcd for C11H18ClSi 213.0861

[M + Na]+

[M + Na]+ Calcd for C11H17ClNaSi 235.0680

[M − H]−

[M − H]− Calcd for C11H16ClSi 211.0715

Elemental analysis

Anal. Calcd for C11H17ClSi: C, 62.09; H, 8.05.

Weigh it out

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

Names and synonyms

5 names

(3-Phenylpropyl)dimethylchlorosilane
Benzene, [3-(chlorodimethylsilyl)propyl]-
Silane, chlorodimethyl(3-phenylpropyl)-
[3-(Chlorodimethylsilyl)propyl]benzene
3-(Phenylpropyl)chlorodimethylsilane

Work with Chlorodimethyl(3-phenylpropyl)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

[(Chlorodimethylsilyl)methyl]benzene1833-31-463 % similar 3-Phenylpropyltrichlorosilane13617-40-859 % similar Trichloro(6-phenylhexyl)silane18035-33-150 % similar [2-(Trichlorosilyl)ethyl]benzene940-41-050 % similar Butyldimethylsilyl chloride1000-50-646 % similar Chloro(3-chloropropyl)dimethylsilane10605-40-046 % similar 1,3-Diphenylpropane1081-75-046 % similar 1,1′-(1,2-Ethanediyl)bis[1-chloro-1,1-dimethylsilane]13528-93-346 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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