Chlorotrihexylsilane

C18H39ClSiCAS 3634-67-1319.05 g/mol

Open in Covalent MOL file
SiCl

Properties

Molecular formula
C18H39ClSi
Molar mass
319.05 g/mol
Exact mass
318.2510 Da
Density
0.87 g/mL
Boiling point
154–155 °C (at 5 Torr)
logP
7.91Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
0 / 0
Rotatable bonds
15

Hazards

Danger
Corrosive (GHS05)

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

Precautionary statements

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

Identifiers

CAS number
3634-67-1
SMILES
CCCCCC[Si](Cl)(CCCCCC)CCCCCC
InChIKey
WZQSBCHNVPAYOC-UHFFFAOYSA-N
InChI
InChI=1S/C18H39ClSi/c1-4-7-10-13-16-20(19,17-14-11-8-5-2)18-15-12-9-6-3/h4-18H2,1-3H3
Characterization data

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

¹H NMR
Predicted ¹H NMR (400 MHz, CDCl₃) δ 1.27 (m, J = 7.0 Hz, 6H), 1.27 (m, J = 7.0 Hz, 6H), 1.27 (m, J = 7.0 Hz, 6H), 1.22 (m, J = 7.0 Hz, 6H), 0.86 (t, J = 7.0 Hz, 9H), 0.50 (t, J = 7.0 Hz, 6H).
¹³C NMR
Predicted ¹³C NMR (101 MHz, CDCl₃) δ 32.2, 31.2, 25.1, 23.1, 16.3, 14.0.
[M + H]+
[M + H]+ Calcd for C18H40ClSi 319.2582
[M + Na]+
[M + Na]+ Calcd for C18H39ClNaSi 341.2402
[M − H]−
[M − H]− Calcd for C18H38ClSi 317.2437
Elemental analysis
Anal. Calcd for C18H39ClSi: C, 67.76; H, 12.32.

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Names and synonyms

5 names
  • Silane, chlorotrihexyl-
  • Trihexylchlorosilane
  • Trihexylsilyl chloride
  • Tri-n-hexylsilyl chloride
  • NSC 139855

Work with Chlorotrihexylsilane

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

Tributylchlorosilane995-45-978 % similar Octadecyltrichlorosilane112-04-967 % similar Decyltrichlorosilane13829-21-567 % similar Dichlorodihexylsilane18204-93-867 % similar Dichlorodioctylsilane18416-07-467 % similar Trichlorododecylsilane4484-72-467 % similar Octyltrichlorosilane5283-66-967 % similar Trichlorononylsilane5283-67-067 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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