CAS No.546-44-1,3-PHENYLHEPTAMETHYLTRISILOXANE Suppliers

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Basic Information

Molecular Structure:
CAS No.:	546-44-1
Name:	3-PHENYLHEPTAMETHYLTRISILOXANE
Article Data:	12

Formula:	C₁₃H₂₆O₂Si₃
Molecular Weight:	298.605
Synonyms:	1,1,1,3,5,5,5-Heptamethyl-3-phenyltrisiloxane;Methylphenylbis(trimethylsiloxy)silane;
Density:	0.92 g/cm³
Melting Point:	-56 °C
Boiling Point:	270.7 °C at 760 mmHg
Flash Point:	101.7 °C
Risk Codes:	36/37/38
Safety:	26-36/37/39
PSA:	18.46000
LogP:	3.66860

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Specification

The Trisiloxane,1,1,1,3,5,5,5-heptamethyl-3-phenyl-, with the CAS registry number 546-44-1, is also known as 1,1,1,3,5,5,5-Heptamethyl-3-phenyltrisiloxane. This chemical's molecular formula is C₁₃H₂₆O₂Si₃ and molecular weight is 298.60084. Its IUPAC name is called trimethyl-(methyl-phenyl-trimethylsilyloxysilyl)oxysilane.

Physical properties of Trisiloxane,1,1,1,3,5,5,5-heptamethyl-3-phenyl-: (1)ACD/LogP: 6.49; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 6.49; (4)ACD/LogD (pH 7.4): 6.49; (5)ACD/BCF (pH 5.5): 50415.96; (6)ACD/BCF (pH 7.4): 50415.96; (7)ACD/KOC (pH 5.5): 80850; (8)ACD/KOC (pH 7.4): 80850; (9)#H bond acceptors: 2; (10)#Freely Rotating Bonds: 5; (11)Index of Refraction: 1.46; (12)Molar Refractivity: 88.9 cm³; (13)Molar Volume: 324.3 cm³; (14)Surface Tension: 22.3 dyne/cm; (15)Density: 0.92 g/cm³; (16)Flash Point: 101.7 °C; (17)Enthalpy of Vaporization: 48.84 kJ/mol; (18)Boiling Point: 270.7 °C at 760 mmHg; (19)Vapour Pressure: 0.0112 mmHg at 25°C.

Uses of Trisiloxane,1,1,1,3,5,5,5-heptamethyl-3-phenyl-: it can be used to produce bromomethylbis(trimethylsiloxy)silane at temperature of 110 °C. This reaction will need reagent bromine with reaction time of 4 hours. The yield is about 42%.

When you are using this chemical, please be cautious about it as the following:
This chemical is irritating to eyes, respiratory system and skin. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. Whenever you will contact it, please wear suitable protective clothing, gloves and eye/face protection.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C[Si](C)(C)O[Si](C)(C1=CC=CC=C1)O[Si](C)(C)C
(2)InChI: InChI=1S/C13H26O2Si3/c1-16(2,3)14-18(7,15-17(4,5)6)13-11-9-8-10-12-13/h8-12H,1-7H3
(3)InChIKey: FNATTZRLLOIKNY-UHFFFAOYSA-N