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775-12-2 molecular structure
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diphenylsilane

ChemBase ID: 107424
Molecular Formular: C12H12Si
Molecular Mass: 184.30918
Monoisotopic Mass: 184.07082692
SMILES and InChIs

SMILES:
[SiH2](c1ccccc1)c1ccccc1
Canonical SMILES:
c1ccc(cc1)[SiH2]c1ccccc1
InChI:
InChI=1S/C12H12Si/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12/h1-10H,13H2
InChIKey:
VDCSGNNYCFPWFK-UHFFFAOYSA-N

Cite this record

CBID:107424 http://www.chembase.cn/molecule-107424.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
diphenylsilane
IUPAC Traditional name
diphenylsilane
Synonyms
DIPHENYLSILANE
Diphenylsilane
二苯基硅烷
CAS Number
775-12-2
EC Number
212-271-4
MDL Number
MFCD00003002
Beilstein Number
2935887
PubChem SID
162093988
24848906
24867106
PubChem CID
6327659

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 2.5974  LogD (pH = 7.4) 2.5974 
Log P 2.5974  Molar Refractivity 52.5486 cm3
Polarizability 22.940939 Å3 Polar Surface Area 0.0 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Boiling Point
95-97 °C/13 mmHg(lit.) expand Show data source
95-97°C/13mm expand Show data source
Flash Point
208.4 °F expand Show data source
98 °C expand Show data source
98°C(208°F) expand Show data source
Density
0.993 g/mL at 25 °C(lit.) expand Show data source
0.996 expand Show data source
Refractive Index
1.5790 expand Show data source
n20/D 1.579 expand Show data source
n20/D 1.579(lit.) expand Show data source
European Hazard Symbols
Irritant Irritant (Xi) expand Show data source
MSDS Link
Download expand Show data source
Download expand Show data source
Download expand Show data source
German water hazard class
3 expand Show data source
Risk Statements
36/38 expand Show data source
38 expand Show data source
R:36/37/38 expand Show data source
Safety Statements
26-37 expand Show data source
S:20-25-26-37/39 expand Show data source
TSCA Listed
expand Show data source
GHS Pictograms
GHS07 expand Show data source
GHS Signal Word
Warning expand Show data source
GHS Hazard statements
H315 expand Show data source
H315-H319 expand Show data source
GHS Precautionary statements
P280G-P305+P351+P338 expand Show data source
Personal Protective Equipment
Eyeshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter expand Show data source
Purity
≥97.0% (GC) expand Show data source
95+% expand Show data source
97% expand Show data source
Grade
purum expand Show data source
Certificate of Analysis
Download expand Show data source
Linear Formula
(C6H5)2SiH2 expand Show data source

DETAILS

DETAILS

MP Biomedicals MP Biomedicals Sigma Aldrich Sigma Aldrich
MP Biomedicals - 05203681 external link
MP Biomedicals Rare Chemical collection
Sigma Aldrich - 148482 external link
Packaging
5, 25 g in ampule
Sigma Aldrich - 43290 external link
Other Notes
Reagent used in the highly selective hydrosilylation of carbonyl compounds1,2,3; Radical-induced deoxigenations4

REFERENCES

REFERENCES

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  • • Protection of diols as diphenylsilylenes can be effected in the presence of CsF: J. Organomet. Chem., 282, 155 (1985). See Diphenyldichlorosilane, A12051, and Appendix 4.
  • • Reducing agent used in combination with F- or other catalyst.
  • • CsF promotes the reduction of aldehydes and ketones to alcohols: J. Organomet. Chem., 148, C1 (1978); 172, 143 (1979). Esters can be reduced at elevated temperatures: Synthesis, 558 (1981). Aldehydes and ketones are also reduced in the presence of TBAF: J. Org. Chem., 53, 5415 (1988).
  • • In the presence of Tetrakis(triphenylphosphine)palladium(0), 10548, effects the reductive cleavage of allylic acetates: J. Org. Chem., 48, 3545 (1983). With the same catalyst and a Lewis acid such as zinc chloride, ɑ?-unsaturated aldehydes, ketones and esters are reduced to their saturated counterparts: J. Am. Chem. Soc., 108, 7314 (1986).
  • • In combination with an equivalent of Titanium(IV) isopropoxide, A13703, a mild, one-pot reduction of tertiary amides to aldehydes can be accomplished in high yield. The initial product is the enamine which can be readily hydrolyzed in situ to the aldehyde: Angew. Chem. Int. Ed., 35, 1515 (1996):
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PATENTS

PATENTS

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INTERNET

INTERNET

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