CAS No.98-13-5,Phenyltrichlorosilane Suppliers,MSDS download

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Basic Information

Molecular Structure:
CAS No.:	98-13-5
Name:	Phenyltrichlorosilane
Article Data:	123

Formula:	C₆H₅Cl₃Si
Molecular Weight:	211.55
Synonyms:	Silane,trichlorophenyl- (8CI,9CI);(Trichlorosilyl)benzene;KA 103;NSC 77080;Phenylsilicon trichloride;Silicon phenyl trichloride;TSL 8063;Trichlorophenylsilane;
EINECS:	202-640-8
Density:	1.31 g/cm³
Melting Point:	-127 °C
Boiling Point:	201 °C at 760 mmHg
Flash Point:	87.5 °C
Solubility:	reacts with water
Appearance:	Colorless transparent liquid
Hazard Symbols:	C
Risk Codes:	21-34
Safety:	26-36/37/39-45
Transport Information:	UN 1804 8/PG 2
PSA:	0.00000
LogP:	2.54890

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Consensus Reports

EPA Extremely Hazardous Substances List. Reported in EPA TSCA Inventory.

Standards and Recommendations

DOT Classification: 8; Label: Corrosive

Specification

The Trichlorophenylsilane, with the CAS registry number 98-13-5 and EINECS registry number 202-640-8, has the systematic name of trichloro(phenyl)silane. It is a kind of colorless transparent liquid with a pungent odor, and belogns to the following product categories: Organics; Functional Materials; Si (Classes of Silicon Compounds); Si-Cl Compounds; Silane Coupling Agents; Silane Coupling Agents (Intermediates); Trichlorosilanes; Phenyl Silanes. And the molecular formula of this chemical is C₆H₅Cl₃Si. What's more, it will decompose by moisture or water to hydrochloric acid with evolution of heat. In addition, it is used as intermediate in the produce of silicones, and it is also used to produce phenyl silicone resin.

The physical properties of Trichlorophenylsilane are as following: (1)ACD/LogP: 5.94; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 5.94; (4)ACD/LogD (pH 7.4): 5.94; (5)ACD/BCF (pH 5.5): 19349.05; (6)ACD/BCF (pH 7.4): 19349.05; (7)ACD/KOC (pH 5.5): 40735.89; (8)ACD/KOC (pH 7.4): 40735.89; (9)#H bond acceptors: 0; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 0 Å²; (13)Index of Refraction: 1.536; (14)Molar Refractivity: 50 cm³; (15)Molar Volume: 160.3 cm³; (16)Polarizability: 19.82×10^-24cm³; (17)Surface Tension: 31.6 dyne/cm; (18)Density: 1.31 g/cm³; (19)Flash Point: 87.5 °C; (20)Enthalpy of Vaporization: 41.93 kJ/mol; (21)Boiling Point: 201 °C at 760 mmHg; (22)Vapour Pressure: 0.447 mmHg at 25°C.

Preparation: This chemical can be prepared by chlorobenzene and ganister sand in the presence of catalyst copper.
Main reaction: Si+2C₆H₅Cl→(C₆H₅)₂SiCl₂ Si+3C₆H₅Cl→C₆H₅Cl₃Si+C₆H₅^.C₆H₅Subsidiary reaction: Si+4C₆H₅Cl→SiCl4+2C₁₂H₁₀+C₆H₆

You should be cautious while dealing with this chemical. It is harmful in contact with skin, and may also cause burns. Therefore, you had better take the following instructions: Wear suitable protective clothing, gloves and eye/face protection, and in case of contacting with eyes, rinse immediately with plenty of water and seek medical advice; In case of accident or if you feel unwell, seek medical advice immediately (show label where possible).

You can still convert the following datas into molecular structure:
(1)SMILES: Cl[Si](Cl)(Cl)c1ccccc1
(2)InChI: InChI=1/C6H5Cl3Si/c7-10(8,9)6-4-2-1-3-5-6/h1-5H
(3)InChIKey: ORVMIVQULIKXCP-UHFFFAOYAP

The toxicity data is as follows:

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Source
mouse	LC50	inhalation	330mg/m³/2H (330mg/m³)	Toksikologiya Novykh Promyshlennykh Khimicheskikh Veshchestv. Toxicology of New Industrial Chemical Substances. For English translation, see TNICS*. Vol. 3, Pg. 23, 1961.
mouse	LD50	intravenous	100mg/kg (100mg/kg)	U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#04051,
rabbit	LD50	skin	890uL/kg (0.89mL/kg)	AMA Archives of Industrial Hygiene and Occupational Medicine. Vol. 10, Pg. 61, 1954.
rat	LD50	oral	2390mg/kg (2390mg/kg)	AMA Archives of Industrial Hygiene and Occupational Medicine. Vol. 10, Pg. 61, 1954.