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68584-38-3

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Basic Information
CAS No.: 68584-38-3
Name: ZORBAX LP 100/40 C4
Molecular Structure:
Molecular Structure of 68584-38-3 (ZORBAX LP 100/40 C4)
Formula: C6H12ClNO2Si2
Molecular Weight: 221.79
Synonyms: Silica, reaction product with 4-(chlorodimethylsilyl)butyronitrile;4-(chloro-dimethyl-silyl)butanenitrile; dioxosilane;ZORBAX LP 100/40 C4;
EINECS: 271-537-8
Melting Point: 1600℃
Boiling Point: 214.7 °C at 760 mmHg
Flash Point: 108.3 °C
Hazard Symbols: R24/25:Toxic in contact with skin and if swallowed.;
Risk Codes: 36
Safety: 26-36
PSA: 57.93000
LogP: 2.11568
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  • Butanenitrile, 4-(chlorodimethylsilyl)-, hydrolysis products with silica

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    68584-38-3

    Butanenitrile, 4-(chlorodimethylsilyl)-, hydrolysis products with silica

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Specification

This chemical is called Butanenitrile, 4-(chlorodimethylsilyl)-, hydrolysis products with silica, and its systematic name is 4-[Chloro(dimethyl)silyl]butanenitrile - dioxosilane (1:1). With the molecular formula of C6H12ClNO2Si2, its molecular weight is 221.79. The CAS registry number of the chemical is 68584-38-3. 

Other characteristics of Butanenitrile, 4-(chlorodimethylsilyl)-, hydrolysis products with silica can be summarised as followings: (1)ACD/LogP: 2.04; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.04; (4)ACD/LogD (pH 7.4): 2.04; (5)ACD/BCF (pH 5.5): 20.77; (6)ACD/BCF (pH 7.4): 20.77; (7)ACD/KOC (pH 5.5): 305.26; (8)ACD/KOC (pH 7.4): 305.26; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 23.79 Å2; (13)Flash Point: 108.3 °C; (14)Enthalpy of Vaporization: 45.11 kJ/mol; (15)Boiling Point: 214.7 °C at 760 mmHg; (16)Vapour Pressure: 0.153 mmHg at 25°C.

You can still convert the following datas into molecular structure:
1.SMILES: N#CCCC[Si](Cl)(C)C.O=[Si]=O
2.InChI: InChI=1/C6H12ClNSi.O2Si/c1-9(2,7)6-4-3-5-8;1-3-2/h3-4,6H2,1-2H3;
3.InChIKey: MPHCKNJRPAUOCD-UHFFFAOYAM
4.Std. InChI: InChI=1S/C6H12ClNSi.O2Si/c1-9(2,7)6-4-3-5-8;1-3-2/h3-4,6H2,1-2H3;
5.Std. InChIKey: MPHCKNJRPAUOCD-UHFFFAOYSA-N