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Molecule
Chlorotripropylsilane
CAS: 995-25-5 · C9H21ClSi
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 995-25-5
- Molecular Formula
- C9H21ClSi
- Molecular Mass
- 192.81 g/mol
Identifiers
CAS Registry Number
995-25-5
SMILES
CCC[Si](Cl)(CCC)CCC
InChI Key
ACTAPAGNZPZLEF-UHFFFAOYSA-N
InChI
InChI=1S/C9H21ClSi/c1-4-7-11(10,8-5-2)9-6-3/h4-9H2,1-3H3
Names and Synonyms
- Chlorotripropylsilane Common Name
- Silane, chlorotripropyl- Synonym
- Chlorotripropylsilane Synonym
- Tripropylsilyl chloride Synonym
- Tri-n-propylchlorosilane Synonym
- Tripropylchlorosilane Synonym
- NSC 139864 Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 192.81 g/mol | CAS Common Chemistry |
| 192.80599999999995 g/mol | RDKit | |
| 192.806 g/mol | RDKit | |
| 192.803 g/mol | chempirical lib | |
| Density | 0.88 g/cm³ | CAS Common Chemistry |
| 0.882 g/cm3 | CAS Common Chemistry | |
| Boiling Point | 199-201 °C | CAS Common Chemistry |
| Canonical SMILES | Cl[Si](CCC)(CCC)CCC | CAS Common Chemistry |
| InChI | InChI=1S/C9H21ClSi/c1-4-7-11(10,8-5-2)9-6-3/h4-9H2,1-3H3 | CAS Common Chemistry |
| InChI Key | InChIKey=ACTAPAGNZPZLEF-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | Chlorotripropylsilane | CAS Common Chemistry |
| Heavy Atom Count | 11 | RDKit |
| Hydrogen Bond Acceptors | 0 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 6 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 0.0 Ų | RDKit |
| LogP | 4.400700000000003 | RDKit |
| 4.4007 | RDKit | |
| 4.57 | chempirical lib | |
| Molar Refractivity | 56.901000000000046 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
| Exact Mass | 192.110104882 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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3
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1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
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20
0 ppm
| Shift (ppm) | DEPT | Assignment |
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Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
External Resources
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Quick conversion
MW = 192.81 g/mol; density = 0.880 g/mL. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C9H21ClSi.
