Chlorotripropylsilane

C9H21ClSiCAS 995-25-5192.80 g/mol

Open in Covalent MOL file
SiCl

Properties

Molecular formula
C9H21ClSi
Molar mass
192.80 g/mol
Exact mass
192.1101 Da
Density
0.88 g/mL
Boiling point
199–201 °C
logP
4.40Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
0 / 0
Rotatable bonds
6

Hazards

Danger
Corrosive (GHS05)Irritant (GHS07)

Aggregated from 43 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P260, P261, P264, P271, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P319, P321, P363, P403+P233, P405, P501

Identifiers

CAS number
995-25-5
SMILES
CCC[Si](Cl)(CCC)CCC
InChIKey
ACTAPAGNZPZLEF-UHFFFAOYSA-N
InChI
InChI=1S/C9H21ClSi/c1-4-7-11(10,8-5-2)9-6-3/h4-9H2,1-3H3
Characterization data

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

¹H NMR
Predicted ¹H NMR (400 MHz, CDCl₃) δ 1.22 (sext, 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 18.5, 17.9, 15.2.
[M + H]+
[M + H]+ Calcd for C9H22ClSi 193.1174
[M + Na]+
[M + Na]+ Calcd for C9H21ClNaSi 215.0993
[M − H]−
[M − H]− Calcd for C9H20ClSi 191.1028
Elemental analysis
Anal. Calcd for C9H21ClSi: C, 56.07; H, 10.98.

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Names and synonyms

5 names
  • Silane, chlorotripropyl-
  • Tripropylsilyl chloride
  • Tri-n-propylchlorosilane
  • Tripropylchlorosilane
  • NSC 139864

Work with Chlorotripropylsilane

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

Tributylchlorosilane995-45-971 % similar Chlorotrihexylsilane3634-67-163 % similar Propyltrichlorosilane141-57-156 % similar Chlorodimethylpropylsilane17477-29-150 % similar Triethylsilyl chloride994-30-944 % similar Dibutyldichlorosilane3449-28-343 % similar Butyltrichlorosilane7521-80-443 % similar Trichloropentylsilane107-72-241 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Triisopropylsilyl chloride13154-24-0

Elsewhere

PubChem CAS Common Chemistry NIST WebBook