Hexamethyldisilane(CAS No. 1450-14-2)

Hexamethyldisilane C6H18Si2 (cas 1450-14-2) Molecular Structure

1450-14-2 Structure

Identification and Related Records

【Name】
Hexamethyldisilane
【Iupac name】
trimethyl(trimethylsilyl)silane
【CAS Registry number】
1450-14-2
【Synonyms】
HMD
【EINECS(EC#)】
215-911-0
【Molecular Formula】
C6H18Si2 (Products with the same molecular formula)
【Molecular Weight】
146.38
【Inchi】
InChI=1/C6H18Si2/c1-7(2,3)8(4,5)6/h1-6H3
【InChIKey】
NEXSMEBSBIABKL-UHFFFAOYSA-N
【Canonical SMILES】
C[Si](C)(C)[Si](C)(C)C
【MOL File】
1450-14-2.mol

Chemical and Physical Properties

【Appearance】
Colorless clear liquid
【Density】
0.715
【Melting Point】
15℃
【Boiling Point】
112-114℃
【Vapour】
24.5mmHg at 25°C
【Refractive Index】
1.4211-1.4231
【Flash Point】
11℃
【Water】
insoluble in water
【Solubilities】
insoluble in water
【Stability】
Stable under normal temperatures and pressures.
【HS Code】
29310095
【Storage temp】
Flammables area
【Computed Properties】
Molecular Weight:146.37812 [g/mol]
Molecular Formula:C6H18Si2
H-Bond Donor:0
H-Bond Acceptor:0
Rotatable Bond Count:1
Exact Mass:146.094704
MonoIsotopic Mass:146.094704
Topological Polar Surface Area:0
Heavy Atom Count:8
Formal Charge:0
Complexity:61.5
Isotope Atom Count:0
Defined Atom Stereocenter Count:0
Undefined Atom Stereocenter Count:0
Defined Bond Stereocenter Count:0
Undefined Bond Stereocenter Count:0
Covalently-Bonded Unit Count:1
Effective Rotor Count:1
Conformer Sampling RMSD:0.4
CID Conformer Count:1

Safety and Handling

【Hazard Codes】
F:Flammable
【Risk Statements】
R11
【Safety Statements 】
S16;S33;S9
【HazardClass】
3
【PackingGroup 】
II
【Transport】
UN 1993
【Specification】

The IUPAC name of Hexamethyldisilane is trimethyl(trimethylsilyl)silane . With the CAS registry number 1450-14-2, it is also named as Disilane, hexamethyl- ; Permethyldisilane ; Disilane, 1,1,1,2,2,2-hexamethyl- .?It is a dimer of TMS linked through a silicon silicon bond. It is cleaved by iodine to give trimethylsilyl iodide.

The?Hexamethyldisilane?is colorless clear liquid which is insoluble in water.?It can be used as raw material in the preparation of?trimethylsilyl lithium, sodium trimethylsilyl and trimethylsilyl?potassium .?It?is also used in pharmaceutical synthesis and can?be used as terminator of poly carbosilane chain.

The Hexamethyldisilane is highly flammable.?It is irritating to eyes, respiratory system and skin.?People should?not breathe vapour.?Keep away from sources of ignition.?In case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.)?Take precautionary measures against static discharges.?In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.?Keep container tightly closed and?keep container in a well-ventilated place.?Potentially explosive reaction with pyridine-N-oxide + tetrabutylammonium fluoride. When heated to decomposition it emits acrid smoke and fumes.

The Hexamethyldisilane?can be?obtained by the reaction of methyl Grignard reagent with methylchlorodisilanes. This reaction is normally conducted in the presence of an ether such as diethyl ether, ethyl propyl ether, THF and the like. And now, there are many?improved process in the methods of preparation of?Hexamethyldisilane?.?

The other characteristics of this product can be summarized as:?(1)ACD/LogP: 2.50 ; (2)# of Rule of 5 Violations: 0 ; (3)ACD/LogD (pH 5.5): 2.5 ; (4)ACD/LogD (pH 7.4): 2.5 ; (5)ACD/BCF (pH 5.5): 46.85 ; (6)ACD/BCF (pH 7.4): 46.85 ; (7)ACD/KOC (pH 5.5): 546.38 ; (8)ACD/KOC (pH 7.4): 546.38 ; (9)#Freely Rotating Bonds: 1 ; (10)Index of Refraction: 1.39 ; (11)Molar Refractivity: 47.28 cm3 ; (12)Molar Volume: 199 cm3 ; (13)Polarizability: 18.74×10-24 cm3 ; (14)Surface Tension: 14.6 dyne/cm ; (15)Enthalpy of Vaporization: 33.74 kJ/mol ; (16)Vapour Pressure: 24.5 mmHg at 25°C. People can use the following data to convert to the molecule structure.?SMILES: C[Si](C)(C)[Si](C)(C)C; InChI: InChI=1/C6H18Si2/c1-7(2,3)8(4,5)6/h1-6H3.

The following is the?toxicity data?which has been tested.

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
guinea pig LD50 oral > 20gm/kg (20000mg/kg) ? Gigiena i Sanitariya. For English translation, see HYSAAV. Vol. 59(4), Pg. 14, 1994.
mouse LD50 oral > 20gm/kg (20000mg/kg) ? Gigiena i Sanitariya. For English translation, see HYSAAV. Vol. 59(4), Pg. 14, 1994.
rat LD50 oral > 20gm/kg (20000mg/kg) ? Gigiena i Sanitariya. For English translation, see HYSAAV. Vol. 59(4), Pg. 14, 1994.

Supplier Location

Top Suppliers

Diamond member Hubei XinRunde Chemical Co., Ltd
Country:ChinaChina
Business Type:Manufacturer
Telephone:86-188-74586545
Diamond member AOPHARM
Country:ChinaChina
Business Type:Manufacturer
Telephone:86-311-66600578
Diamond member Jinlan Pharm-Drugs Technology Co., Limited
Country:ChinaChina
Business Type:Manufacturer
Telephone:86-571-85829152
Diamond member Ningbo Minghao Medicine Chemical Co., Ltd.
Country:ChinaChina
Business Type:Manufacturer
Telephone:86-574-88285925
Diamond member Hangzhou J&H Chemical Co., Ltd
Country:ChinaChina
Business Type:Manufacturer
Telephone:86-571-87396430
Hui Chem Company Limited
Country:ChinaChina
Business Type:Manufacturer
Telephone:86-21-60542966
Finetech Industry limited.
Country:ChinaChina
Business Type:Manufacturer
Telephone:86-27-87465837
Jinan Haohua Industry Co., Ltd.
Country:ChinaChina
Business Type:Manufacturer
Telephone:0086-531-58773055
Jiaxing Isen Chemical Co.,Ltd
Country:ChinaChina
Business Type:Trading Company
Telephone:86-573-85280080
Huangshan violet Biotechnology Co., Ltd
Country:ChinaChina
Business Type:Manufacturer
Telephone:86-559-2323423

Quick Search

Cas    Name