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CAS No.: | 17043-05-9 |
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Name: | BROMOPHENYLTRIMETHOXYSILANE |
Molecular Structure: | |
Formula: | C9H13BrO3Si |
Molecular Weight: | 277.19 |
Synonyms: | Silane,(4-bromophenyl)trimethoxy- (9CI);Silane, (p-bromophenyl)trimethoxy- (8CI);1-Bromo-4-trimethoxysilylbenzene;4-Bromo-1-(trimethoxysilyl)benzene; |
Density: | 1.339 g/cm3 |
Boiling Point: | 230.532 °C at 760 mmHg |
Flash Point: | 93.223 °C |
Risk Codes: | 36/37/38 |
Safety: | 9-16-36/39 |
PSA: | 27.69000 |
LogP: | 1.53420 |
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The Benzene, 1-bromo-4-(trimethoxysilyl)-, with the CAS registry number 17043-05-9, is also known as Bromophenyltrimethoxysilane. This chemical's molecular formula is C9H13BrO3Si and molecular weight is 277.19. What's more, its systematic name is (4-Bromophenyl)(trimethoxy)silane.
Physical properties about Benzene, 1-bromo-4-(trimethoxysilyl)- are: (1)ACD/LogP: 2.22; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2; (4)ACD/LogD (pH 7.4): 2; (5)ACD/BCF (pH 5.5): 26; (6)ACD/BCF (pH 7.4): 26; (7)ACD/KOC (pH 5.5): 360; (8)ACD/KOC (pH 7.4): 360; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 27.69 Å2; (13)Index of Refraction: 1.514; (14)Molar Refractivity: 62.339 cm3; (15)Molar Volume: 206.972 cm3; (16)Polarizability: 24.713×10-24 cm3; (17)Surface Tension: 32.964 dyne/cm; (18)Density: 1.339 g/cm3; (19)Flash Point: 93.223 °C; (20)Enthalpy of Vaporization: 44.819 kJ/mol; (21)Boiling Point: 230.532 °C at 760 mmHg; (22)Vapour Pressure: 0.099 mmHg at 25 °C.
Uses of Benzene, 1-bromo-4-(trimethoxysilyl)-: it is used to produce other chemicals. For example, it is used to produce p-Bromo(triisopropyloxysilyl)benzene at ambient temperature. The reaction needs reagent p-TsOH. The reaction time is 5 hours. The yield is about 49 %.
When you are using this chemical, please be cautious about it as the following:
As a chemical, it is irritating to eyes, respiratory system and skin. In addition, keep it away from sources of ignition. What's more, it must be placed in a well-ventilated place. During using it, wear suitable protective clothing and eye/face protection.
You can still convert the following datas into molecular structure:
(1) SMILES: Brc1ccc(cc1)[Si](OC)(OC)OC
(2) InChI: InChI=1/C9H13BrO3Si/c1-11-14(12-2,13-3)9-6-4-8(10)5-7-9/h4-7H,1-3H3
(3) InChIKey: BRXDAEMGSYZHGK-UHFFFAOYAD