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Butanenitrile,4-(trimethoxysilyl)-

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Name

Butanenitrile,4-(trimethoxysilyl)-

EINECS 259-646-9
CAS No. 55453-24-2 Density 0.984 g/cm3
PSA 51.48000 LogP 1.16828
Solubility N/A Melting Point <0°C
Formula C7H15NO3Si Boiling Point 209.1 °C at 760 mmHg
Molecular Weight 189.286 Flash Point 80.3 °C
Transport Information N/A Appearance N/A
Safety 26-28-36/37/39 Risk Codes 20/21/22-36/37/38
Molecular Structure Molecular Structure of 55453-24-2 (3-CYANOPROPYLTRIMETHOXYSILANE) Hazard Symbols N/A
Synonyms

3-Cyanopropyltrimethoxysilane;Cyanopropyltrimethoxysilane;g-Cyanopropyltrimethoxysilane;4-(trimethoxysilyl)butanenitrile;4-(Trimethoxysilyl)butanonitril;Butanenitrile, 4-(trimethoxysilyl)-;3-Cyanopropyltrimethoxysilane;

Article Data 3

Butanenitrile,4-(trimethoxysilyl)- Specification

The Butanenitrile,4-(trimethoxysilyl)-, with the CAS registry number 55453-24-2 and EINECS registry number 259-646-9, has the systematic name and IUPAC name of 4-(trimethoxysilyl)butanenitrile. And the molecular formula of the chemical is C7H15NO3Si.

The characteristics of Butanenitrile,4-(trimethoxysilyl)- are as followings: (1)ACD/LogP: 0.00; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0; (4)ACD/LogD (pH 7.4): 0; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 23.75; (8)ACD/KOC (pH 7.4): 23.75; (9)#H bond acceptors: 4; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 6; (12)Polar Surface Area: 51.48 Å2; (13)Index of Refraction: 1.416; (14)Molar Refractivity: 48.34 cm3; (15)Molar Volume: 192.2 cm3; (16)Polarizability: 19.16×10-24cm3; (17)Surface Tension: 26.6 dyne/cm; (18)Density: 0.984 g/cm3; (19)Flash Point: 80.3 °C; (20)Enthalpy of Vaporization: 44.54 kJ/mol; (21)Boiling Point: 209.1 °C at 760 mmHg; (22)Vapour Pressure: 0.206 mmHg at 25°C.

You should be cautious while dealing with this chemical. It is harmful by inhalation, in contact with skin and if swallowed, and it also irritates to eyes, respiratory system and skin. Therefore, you had better take the following instructions: Wear suitable protective clothing, gloves and eye/face protection; After contact with skin, wash immediately with plenty of ... (to be specified by the manufacturer); 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: N#CCCC[Si](OC)(OC)OC
(2)InChI: InChI=1/C7H15NO3Si/c1-9-12(10-2,11-3)7-5-4-6-8/h4-5,7H2,1-3H3
(3)InChIKey: FPJPAIQDDFIEKJ-UHFFFAOYAL

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