Name: 3-BROMOPROPYLTRIMETHOXYSILANE
SKU: 51826-90-5

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Basic Information

Molecular Structure:
CAS No.:	51826-90-5
Name:	3-BROMOPROPYLTRIMETHOXYSILANE
Article Data:	5

Formula:	C₆H₁₅BrO₃Si
Molecular Weight:	243.173
Synonyms:	(3-Bromopropyl)trimethoxysilane;1-Bromo-3-trimethoxysilylpropane;g-Bromopropyltrimethoxysilane;
EINECS:	257-453-4
Density:	1.243 g/cm³
Melting Point:	< 0 °C
Boiling Point:	181.9 °C at 760 mmHg
Flash Point:	63.8 °C
Hazard Symbols:	Xi
Risk Codes:	36/37/38
Safety:	26-36
PSA:	27.69000
LogP:	1.64950

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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