Phenyltrichlorosilane Phenyltrichlorosilane

Structural formula

• Numbering system
• Physical property data
• Toxicological data
• Ecological data
• Molecular structure data
• Computing chemical data
• More
  • Properties and Stability
  • Storage method
  • Synthesis method
  • Purpose

Numbering system

CAS number:98-13-5

MDL number:MFCD00000479

EINECS number:202-640-8

RTECS number:VV6650000

BRN number:508730

PubChem number:24867567

Physical property data

1. Properties: colorless to yellow liquid with pungent odor. ^[1]

2. Melting point (℃): -39.8^[2]

3. Boiling point (℃): 201.0^[3]

4. Relative density (water = 1): 1.32^[4]

5. Relative vapor Density (air=1): 7.3^[5]

6. Saturated vapor pressure (kPa): 0.13 (33℃)^[6]

7. Critical pressure (MPa): 2.94^[7]

8. Octanol/water partition coefficient: 3.600^[8] sup>

9. Flash point (℃): 85 (OC) ^[9]

10. Explosion limit (%): 9.2 ^[10]

11. Lower explosion limit (%): 1.6^[11]

12. Solubility: soluble in ether and benzene and most organic solvents. ^[12]

13. Refractive index: 1.523

Toxicological data

1. Acute toxicity^[13]

LD50: 2390mg/kg (rat oral); 890mg/kg (rabbit dermal )

LC50: 330mg/m³ (mouse inhalation, 2h)

2. Irritation ^[14] sup> Rabbit transdermal: 5mg (24h), severe stimulation.

Ecological data

1. Ecotoxicity No data available

2. Biodegradability No data available

3. Non-biodegradability No information available

Molecular structure data

1. Molar refractive index: 50.00

2. Molar volume (cm³/mol): 160.3

3. Isotonic specific volume (90.2K ): 380.4

4. Surface tension (dyne/cm): 31.6

5. Dielectric constant:

6. Dipole moment (10^-24cm³):

7. Polarizability: 19.82

Compute chemical data

1. Reference value for hydrophobic parameter calculation (XlogP): None

2. Number of hydrogen bond donors: 0

3. Number of hydrogen bond acceptors: 0

4. Number of rotatable chemical bonds: 0

5. Number of tautomers: none

6. Topological molecule polar surface area 0

7. Number of heavy atoms: 10

8. Surface charge: 0

9. Complexity: 104

10. Number of isotope atoms: 0

11. Determine the number of atomic stereocenters: 0

12. Uncertain number of atomic stereocenters: 0

13. Determine the number of chemical bond stereocenters: 0

14.IncorrectThe number of chemical bond stereocenters: 0

15. The number of covalent bond units: 1

Properties and stability

1. Stability^[15] Stable

2. Incompatible substances^[16] Strong oxidants, strong acids, strong alkalis, water, alcohols

3. Conditions to avoid contact^[17] Heated, humid air

4. Polymerization hazard^[18] No polymerization

5. Decomposition products^[19] Hydrogen chloride

Storage method

1. Storage precautions^[20] Stored in a cool, dry and well-ventilated warehouse. Keep away from fire and heat sources. Keep container tightly sealed. They should be stored separately from oxidants, acids, alkalis, alcohols, etc. and avoid mixed storage. Equipped with the appropriate variety and quantity of fire equipment. The storage area should be equipped with emergency release equipment and suitable containment materials.

2. Pipeline transportation is used during the production process, and the products can be packed in polyethylene barrels or iron barrels. Store in a cool, dry place, away from water, ammonia and fire sources. Store and transport according to regulations on flammable, toxic and dangerous goods.

Synthesis method

Chlorobenzene and silicon powder are synthesized in the next step of copper catalysis to obtain crude monomers. The composition is generally 30% monophenyltrichlorosilane and 8% diphenyldichlorosilane. The two are separated by distillation. Raw material consumption quota: silicon powder (96%) 290kg/t, cuprous chloride (95%) 179kg/t, chlorinated benzene (98%) 2487kg/t.

Purpose

1. Used as an intermediate for manufacturing polysiloxane and preparing phenyl silicone resin. ^[21]