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Silane,(3-bromopropyl)trimethoxy-

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Name

Silane,(3-bromopropyl)trimethoxy-

EINECS 257-453-4
CAS No. 51826-90-5 Density 1.243 g/cm3
PSA 27.69000 LogP 1.64950
Solubility N/A Melting Point < 0 °C
Formula C6H15BrO3Si Boiling Point 181.9 °C at 760 mmHg
Molecular Weight 243.173 Flash Point 63.8 °C
Transport Information N/A Appearance N/A
Safety 26-36 Risk Codes 36/37/38
Molecular Structure Molecular Structure of 51826-90-5 (3-BROMOPROPYLTRIMETHOXYSILANE) Hazard Symbols IrritantXi
Synonyms

(3-Bromopropyl)trimethoxysilane;1-Bromo-3-trimethoxysilylpropane;g-Bromopropyltrimethoxysilane;

Article Data 5

Silane,(3-bromopropyl)trimethoxy- Specification

The Silane,(3-bromopropyl)trimethoxy-, with the CAS registry number 51826-90-5 and EINECS registry number 257-453-4, has the systematic name of (3-bromopropyl)(trimethoxy)silane. It belongs to the following product categories: Industrial/Fine Chemicals; Si (Classes of Silicon Compounds); Si-O Compounds; Trialkoxysilanes. And the molecular formula of the chemical is C6H15BrO3Si.

The characteristics of Silane,(3-bromopropyl)trimethoxy- are as followings: (1)ACD/LogP: 1.43; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.43; (4)ACD/LogD (pH 7.4): 1.43; (5)ACD/BCF (pH 5.5): 7.17; (6)ACD/BCF (pH 7.4): 7.17; (7)ACD/KOC (pH 5.5): 142.53; (8)ACD/KOC (pH 7.4): 142.53; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 6; (12)Polar Surface Area: 27.69 Å2; (13)Index of Refraction: 1.439; (14)Molar Refractivity: 51.53 cm3; (15)Molar Volume: 195.5 cm3; (16)Polarizability: 20.42×10-24cm3; (17)Surface Tension: 25.8 dyne/cm; (18)Density: 1.243 g/cm3; (19)Flash Point: 63.8 °C; (20)Enthalpy of Vaporization: 40.1 kJ/mol; (21)Boiling Point: 181.9 °C at 760 mmHg; (22)Vapour Pressure: 1.13 mmHg at 25°C.

Uses of Silane,(3-bromopropyl)trimethoxy-: It can react with 2-chloro-3-(2-dimethylamino-ethylamino)-[1,4]naphthoquinone to produce 2-chloro-3-[(2-{dimethyl[3-(trimethoxysilyl)propyl]ammonio}ethyl)amino]-1,4-naphthoquinone bromide. The reaction time is 12 hours with temperature of 90°C, and the yield is about 90%.  

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: BrCCC[Si](OC)(OC)OC
(2)InChI: InChI=1/C6H15BrO3Si/c1-8-11(9-2,10-3)6-4-5-7/h4-6H2,1-3H3
(3)InChIKey: GLISZRPOUBOZDL-UHFFFAOYAJ

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