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CAS No.: | 68584-38-3 |
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Name: | ZORBAX LP 100/40 C4 |
Molecular Structure: | |
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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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