CAS No.17878-44-3,(4-Bromophenoxy)trimethylsilane Suppliers,MSDS download

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Basic Information

Molecular Structure:
CAS No.:	17878-44-3
Name:	(4-Bromophenoxy)trimethylsilane
Article Data:	42

Formula:	C₉H₁₃BrOSi
Molecular Weight:	245.191
Synonyms:	Silane,(4-bromophenoxy)trimethyl- (9CI);Silane, (p-bromophenoxy)trimethyl- (6CI,8CI);(4-Bromophenoxy)trimethylsilane;(p-Bromophenoxy)trimethylsilane;1-Bromo-4-trimethylsilyloxybenzene;4-(Trimethylsiloxy)bromobenzene;4-Bromo(trimethylsiloxy)benzene;4-Bromophenyl trimethylsilyl ether;4-Trimethylsilyloxybromobenzene;NSC 96824;Trimethyl(p-bromophenoxy)silane;
EINECS:	241-831-0
Density:	1.236 g/cm³
Boiling Point:	215.5 °C at 760 mmHg
Flash Point:	97.2 °C
Hazard Symbols:	Xi
Risk Codes:	36/37/38
Safety:	26-36
PSA:	9.23000
LogP:	3.66280

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Specification

The Benzene,1-bromo-4-[(trimethylsilyl)oxy]-, with the CAS registry number 17878-44-3 and EINECS registry number 241-831-0, has the systematic name of (4-bromophenoxy)(trimethyl)silane. It is a kind of moisture sensitive chemical, and the molecular formula of the chemical is C₉H₁₃BrOSi.

The characteristics of Benzene,1-bromo-4-[(trimethylsilyl)oxy]- are as followings: (1)ACD/LogP: 0.39; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.39; (4)ACD/LogD (pH 7.4): 0.39; (5)ACD/BCF (pH 5.5): 1.17; (6)ACD/BCF (pH 7.4): 1.17; (7)ACD/KOC (pH 5.5): 38.86; (8)ACD/KOC (pH 7.4): 38.86; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 9.23 Å²; (13)Index of Refraction: 1.502; (14)Molar Refractivity: 58.6 cm³; (15)Molar Volume: 198.3 cm³; (16)Polarizability: 23.23×10^-24cm³; (17)Surface Tension: 27.2 dyne/cm; (18)Density: 1.236 g/cm³; (19)Flash Point: 97.2 °C; (20)Enthalpy of Vaporization: 43.34 kJ/mol; (21)Boiling Point: 215.5 °C at 760 mmHg; (22)Vapour Pressure: 0.216 mmHg at 25°C.

Preparation of Benzene,1-bromo-4-[(trimethylsilyl)oxy]-: This chemical can be prepared by chloro-trimethyl-silane and 4-bromo-phenol. The reaction will need reagent urea, and the menstruum benzene. The reaction time is 1.5 hours with temperature of 40-50°C.

Uses of Benzene,1-bromo-4-[(trimethylsilyl)oxy]-: It can react with acetyl bromide to produce acetic acid-(4-bromo-phenyl ester). This reaction will need reagent SnBr₂, and the menstruum CH₂Cl₂. The reaction time is 20 minutes with ambient temperature, and the yield is about 95%.

You should be cautious while dealing with this chemical. It irritates to eyes, respiratory system and skin. Therefore, you had better take the following instructions: Wear suitable protective clothing, and if in case of contacting with eyes, rinse immediately with plenty of water and seek medical advice.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: Brc1ccc(O[Si](C)(C)C)cc1
(2)InChI: InChI=1/C9H13BrOSi/c1-12(2,3)11-9-6-4-8(10)5-7-9/h4-7H,1-3H3
(3)InChIKey: HWKPTBHJWBSOOP-UHFFFAOYAV