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1077-57-2

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Basic Information
CAS No.: 1077-57-2
Name: 3-(dichlorophenylsilyl)propiononitrile
Molecular Structure:
Molecular Structure of 1077-57-2 (3-(dichlorophenylsilyl)propiononitrile)
Formula: C9H9Cl2NSi
Molecular Weight: 230.169
Synonyms: Propionitrile,3-(dichlorophenylsilyl)- (6CI,7CI,8CI);
EINECS: 214-074-9
Density: 1.19 g/cm3
Boiling Point: 316.5 °C at 760 mmHg
Flash Point: 145.2 °C
PSA: 23.79000
LogP: 2.72708
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Specification

The CAS registry number of Propanenitrile,3-(dichlorophenylsilyl)- is 1077-57-2. This chemical is also named as 3-(Dichlorophenylsilyl)propiononitrile. Its EINECS registry number is 214-074-9. In addition, its molecular formula is C9H9Cl2NSi and molecular weight is 230.16596. Its systematic name and IUPAC name are the same which is called 3-[dichloro(phenyl)silyl]propanenitrile.

Physical properties about Propanenitrile,3-(dichlorophenylsilyl)- are: (1)ACD/LogP: 4.58; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4.58; (4)ACD/LogD (pH 7.4): 4.58; (5)ACD/BCF (pH 5.5): 1779.94; (6)ACD/BCF (pH 7.4): 1779.94; (7)ACD/KOC (pH 5.5): 7383.08; (8)ACD/KOC (pH 7.4): 7383.08; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 3; (12)Index of Refraction: 1.526; (13)Molar Refractivity: 59 cm3; (14)Molar Volume: 192 cm3; (15)Surface Tension: 36.1 dyne/cm; (16)Density: 1.19 g/cm3; (17)Flash Point: 145.2 °C; (18)Enthalpy of Vaporization: 55.78 kJ/mol; (19)Boiling Point: 316.5 °C at 760 mmHg; (20)Vapour Pressure: 0.000409 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: Cl[Si](Cl)(c1ccccc1)CCC#N
(2)InChI: InChI=1/C9H9Cl2NSi/c10-13(11,8-4-7-12)9-5-2-1-3-6-9/h1-3,5-6H,4,8H2
(3)InChIKey: NVPJPRQHVOYMHE-UHFFFAOYAE