CAS No.6999-03-7,1-BROMO-4-TRIMETHYLSILYLBENZENE Suppliers

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Basic Information

Molecular Structure:
CAS No.:	6999-03-7
Name:	1-BROMO-4-TRIMETHYLSILYLBENZENE
Article Data:	47

Formula:	C₉H₁₃BrSi
Molecular Weight:	229.192
Synonyms:	Silane,(4-bromophenyl)trimethyl- (9CI);Silane, (p-bromophenyl)trimethyl-(6CI,7CI,8CI);(4-Bromophenyl)trimethylsilane;(p-Bromophenyl)trimethylsilane;1-Bromo-4-(trimethylsilyl)benzene;4-(Trimethylsilyl)bromobenzene;4-(Trimethylsilyl)phenyl bromide;4-Bromo-1-(trimethylsilyl)benzene;p-(Trimethylsilyl)bromobenzene;
Density:	1.21 g/cm³
Melting Point:	95-96 °C
Boiling Point:	230.7 °C at 760 mmHg
Flash Point:	127.7 °C
Appearance:	liquid
PSA:	0.00000
LogP:	2.99430

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Specification

The IUPAC name of Silane, (4-bromophenyl)trimethyl- is (4-bromophenyl)-trimethylsilane. With the CAS registry number 6999-03-7, it is also named as 1-Bromo-4-trimethylsilylbenzene. The product's categories are Si (Classes of Silicon Compounds); Si-(C)4 Compounds; Aryl; C9 to C12; Halogenated Hydrocarbons. It is liquid which should be sealed in the container and stored in the cool and dry place.

The other characteristics of this product can be summarized as: (1)ACD/LogP: 5.49; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 5.49; (4)ACD/LogD (pH 7.4): 5.49; (5)ACD/BCF (pH 5.5): 8784.22; (6)ACD/BCF (pH 7.4): 8784.22; (7)ACD/KOC (pH 5.5): 23146.9; (8)ACD/KOC (pH 7.4): 23146.9; (9)#H bond acceptors: 0; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Index of Refraction: 1.519; (13)Molar Refractivity: 57.11 cm³; (14)Molar Volume: 188 cm³; (15)Polarizability: 22.64×10^-24 cm³; (16)Surface Tension: 28.6 dyne/cm; (17)Enthalpy of Vaporization: 44.84 kJ/mol; (18)Vapour Pressure: 0.0981 mmHg at 25°C; (19)Rotatable Bond Count: 1; (20)Exact Mass: 227.99699; (21)MonoIsotopic Mass: 227.99699; (22)Heavy Atom Count: 11; (23)Complexity: 120.

Preparation of Silane, (4-bromophenyl)trimethyl-: It can be obtained by chloro-trimethyl-silane and 1,4-dibromo-benzene. This reaction which is a kind of silylation needs reagent nBuLi and solvents diethyl ether, hexane at temperature of 20 °C. The reaction time is 1 hours. The yield is 98%.

Uses of Silane, (4-bromophenyl)trimethyl-: It can react with N,N-dimethyl-formamide to get 4-trimethylsilanyl-benzaldehyde. This reaction needs reagents n-butyllithium, hydrochloric acid and solvents diethyl ether, hexane, H₂O at temperature of 0-20 °C. The reaction time is 2 hours. The yield is 75%. And it has three steps.

People can use the following data to convert to the molecule structure.
1. SMILES:Brc1ccc(cc1)[Si](C)(C)C
2. InChI:InChI=1/C9H13BrSi/c1-11(2,3)9-6-4-8(10)5-7-9/h4-7H,1-3H3
3. InChIKey:UKTSSJJZFVGTCG-UHFFFAOYAO