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CAS No.: | 20261-68-1 |
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Name: | 1-chlorohexan-2-one |
Article Data: | 37 |
Molecular Structure: | |
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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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