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Molecule
Tert-Butyldiphenylsilyl Chloride
CAS: 58479-61-1 · C16H19ClSi
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 58479-61-1
- Molecular Formula
- C16H19ClSi
- Molecular Mass
- 274.87 g/mol
Identifiers
CAS Registry Number
58479-61-1
SMILES
CC(C)(C)[Si](Cl)(c1ccccc1)c1ccccc1
InChI Key
MHYGQXWCZAYSLJ-UHFFFAOYSA-N
InChI
InChI=1S/C16H19ClSi/c1-16(2,3)18(17,14-10-6-4-7-11-14)15-12-8-5-9-13-15/h4-13H,1-3H3
Names and Synonyms
- Tert-Butyldiphenylsilyl Chloride Common Name
- (1,1-Dimethylethyl)diphenylsilyl chloride Synonym
- (Chloro)(tert-butyl)diphenylsilane Synonym
- TBDPSCl Synonym
- t-Butylchlorodiphenylsilane Synonym
- TDBPSCl Synonym
- Benzene, 1,1′-[chloro(1,1-dimethylethyl)silylene]bis- Synonym
- Silane, chloro(1,1-dimethylethyl)diphenyl- Synonym
- 1,1′-[Chloro(1,1-dimethylethyl)silylene]bis[benzene] Synonym
- tert-Butylchlorodiphenylsilane Synonym
- tert-Butyldiphenylchlorosilane Synonym
- tert-Butyldiphenylsilyl chloride Synonym
- Diphenyl-tert-butylsilyl chloride Synonym
- t-Butyldiphenylchlorosilane Synonym
- Chlorodiphenyl-tert-butylsilane Synonym
- t-Butyldiphenylchlorosilane Synonym
- Chloro(1,1-dimethylethyl)diphenylsilane Synonym
- NSC 617386 Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 274.87 g/mol | CAS Common Chemistry |
| 274.867 g/mol | RDKit | |
| 274.864 g/mol | chempirical lib | |
| Density | 1.07 g/cm³ | CAS Common Chemistry |
| 1.074 g/cm3 | CAS Common Chemistry | |
| Canonical SMILES | Cl[Si](C=1C=CC=CC1)(C=2C=CC=CC2)C(C)(C)C | CAS Common Chemistry |
| InChI | InChI=1S/C16H19ClSi/c1-16(2,3)18(17,14-10-6-4-7-11-14)15-12-8-5-9-13-15/h4-13H,1-3H3 | CAS Common Chemistry |
| InChI Key | InChIKey=MHYGQXWCZAYSLJ-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | tert-Butyldiphenylsilyl chloride | CAS Common Chemistry |
| Heavy Atom Count | 18 | RDKit |
| Hydrogen Bond Acceptors | 0 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 2 | RDKit |
| Aromatic Ring Count | 2 | RDKit |
| Topological Polar Surface Area | 0.0 Ų | RDKit |
| LogP | 3.7852000000000023 | RDKit |
| 3.7852 | RDKit | |
| Molar Refractivity | 83.47400000000005 cm³/mol | RDKit |
| Ring Count | 2 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.25 | RDKit |
| Exact Mass | 274.09445481800003 g/mol | RDKit |
| Boiling Point | 90 °C @ 0.015 Torr | CAS Common Chemistry |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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1
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| Shift (ppm) | Multiplicity | Integration | Assignment |
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200 ppm
180
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| 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.
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MW = 274.87 g/mol; density = 1.070 g/mL. Edit any field — others recompute live.
