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57856-10-7

Basic Information
CAS No.: 57856-10-7
Name: 2-Pentanone,3,3-dichloro-
Molecular Structure:
Molecular Structure of 57856-10-7 (2-Pentanone,3,3-dichloro-)
Formula: C5H8Cl2O
Molecular Weight: 155.0224
Synonyms: 3, 3-Dichloropentan-2-one;
EINECS:
Density: 1.183 g/cm3
Melting Point:
Boiling Point: 138 °C at 760 mmHg
Flash Point: 56.7 °C
Solubility:
Appearance:
Hazard Symbols:
Risk Codes:
Safety:
Transport Information:
PSA: 17.07000
LogP: 2.15930
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    2-PENTANONE,3,3-DICHLORO-Appearance:white crystalline powder Storage:Store in dry, dark and ventilated place Package:25KG drum Application:intermediate Transportation:by air, by sea, by express

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Specification

The 2-Pentanone, 3, 3-dichloro- has CAS registry number 57856-10-7. This chemical's molecular formula is C5H8Cl2O and molecular weight is 155.0224. What's more, its IUPAC name is 3, 3-Dichloropentan-2-one.

Physical properties about 2-Pentanone, 3, 3-dichloro- are: (1)ACD/LogP: 2.24; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.24; (4)ACD/LogD (pH 7.4): 2.24; (5)ACD/BCF (pH 5.5): 29.64; (6)ACD/BCF (pH 7.4): 29.64; (7)ACD/KOC (pH 5.5): 393.73; (8)ACD/KOC (pH 7.4): 393.73; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 17.07 Å2; (13)Index of Refraction: 1.445; (14)Molar Refractivity: 34.9 cm3; (15)Molar Volume: 131 cm3; (16)Surface Tension: 30.5 dyne/cm; (17)Density: 1.183 g/cm3; (18)Flash Point: 56.7 °C; (19)Enthalpy of Vaporization: 37.53 kJ/mol; (20)Boiling Point: 138 °C at 760 mmHg; (21)Vapour Pressure: 6.87 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: ClC(Cl)(C(=O)C)CC
(2) InChI: InChI=1/C5H8Cl2O/c1-3-5(6,7)4(2)8/h3H2,1-2H3
(3) InChIKey: VKWUGBQFNMLUAO-UHFFFAOYAY