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6628-78-0

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Basic Information
CAS No.: 6628-78-0
Name: E-CHLOROCAPRONITRILE
Molecular Structure:
Molecular Structure of 6628-78-0 (E-CHLOROCAPRONITRILE)
Formula: C6H10ClN
Molecular Weight: 131.605
Synonyms: 6-Chlorocapronitrile;6-Chlorohexanenitrile;NSC 59713;
Density: 0.994 g/cm3
Boiling Point: 230 °C at 760 mmHg
Flash Point: 102.9 °C
PSA: 23.79000
LogP: 2.30918
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Specification

The Hexanenitrile,6-chloro- is an organic compound with the formula C6H10ClN. The IUPAC name of this chemical is 6-chlorohexanenitrile. With the CAS registry number 6628-78-0, it is also named as E-Chlorocapronitrile.

Physical properties about Hexanenitrile,6-chloro- are: (1)ACD/LogP: 1.36; (2)#H bond acceptors: 1; (3)#Freely Rotating Bonds: 4; (4)Polar Surface Area: 23.79 Å2; (5)Index of Refraction: 1.436; (6)Molar Refractivity: 34.6 cm3; (7)Molar Volume: 132.3 cm3; (8)Polarizability: 13.72×10-24cm3; (9)Surface Tension: 33.1 dyne/cm; (10)Density: 0.994 g/cm3; (11)Flash Point: 102.9 °C; (12)Enthalpy of Vaporization: 46.67 kJ/mol; (13)Boiling Point: 230 °C at 760 mmHg; (14)Vapour Pressure: 0.0673 mmHg at 25°C.

Preparation: this chemical can be prepared by 6-hydroxy-hexanenitrile. This reaction will need reagents SOCl2, pyridine and solvent benzene. The reaction time is 120 min by heating. The yield is about 79%.

Uses of Hexanenitrile,6-chloro-: it can be used to produce 6-chloro-hexanoic acid. It will need reagent aqueous hydrochloric acid.

You can still convert the following datas into molecular structure:
(1)SMILES: ClCCCCCC#N
(2)InChI: InChI=1/C6H10ClN/c7-5-3-1-2-4-6-8/h1-5H2
(3)InChIKey: PLKNMBFMTVKLEW-UHFFFAOYAD
(4)Std. InChI: InChI=1S/C6H10ClN/c7-5-3-1-2-4-6-8/h1-5H2
(5)Std. InChIKey: PLKNMBFMTVKLEW-UHFFFAOYSA-N