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20261-68-1

Basic Information
CAS No.: 20261-68-1
Name: 1-chlorohexan-2-one
Article Data: 37
Molecular Structure:
Molecular Structure of 20261-68-1 (1-chlorohexan-2-one)
Formula: C6H11ClO
Molecular Weight: 134.606
Synonyms: 1-Chloro-2-hexanone;Butyl chloromethyl ketone;Chloromethyl butyl ketone;NSC 105286;
Density: 0.989 g/cm3
Boiling Point: 173.2 °C at 760 mmHg
Flash Point: 77 °C
PSA: 17.07000
LogP: 1.98450
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    2-Hexanone, 1-chloro- 1-chlorohexan-2-one CAS No.: 20261-68-1 Synonyms: 1-Chlor-hexan-2-on; 1-chlorohexanone; 1-chloro-2-hexanone; 1-chloro-hexan-2-one; chloro-2-hexanone; 2-Hexanone,1-chloro; chloromethyl n-butyl ketone; Formula: C6H1

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Specification

This chemical is called 2-Hexanone, 1-chloro-, and its systematic name is 1-chlorohexan-2-one. With the molecular formula of C6H11ClO, its molecular weight is 134.60. The CAS registry number of this chemical is 20261-68-1.

Other characteristics of the 2-Hexanone, 1-chloro- can be summarised as followings: (1)ACD/LogP: 2.02; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 1; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 4; (6)Polar Surface Area: 17.07 Å2; (7)Index of Refraction: 1.424; (8)Molar Refractivity: 34.72 cm3; (9)Molar Volume: 136 cm3; (10)Polarizability: 13.76×10-24cm3; (11)Surface Tension: 28.4 dyne/cm; (12)Density: 0.989 g/cm3; (13)Flash Point: 77 °C; (14)Enthalpy of Vaporization: 40.95 kJ/mol; (15)Boiling Point: 173.2 °C at 760 mmHg; (16)Vapour Pressure: 1.28 mmHg at 25°C.

You can still convert the following datas into molecular structure:
1.SMILES: ClCC(=O)CCCC
2.InChI: InChI=1/C6H11ClO/c1-2-3-4-6(8)5-7/h2-5H2,1H3
3.InChIKey: FVXNLWRKEVZHKO-UHFFFAOYAI