CAS No.3592-25-4,1 5-DICHLORO-3-PENTANONE Suppliers

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Basic Information

Molecular Structure:
CAS No.:	3592-25-4
Name:	1 5-DICHLORO-3-PENTANONE
Article Data:	20

Formula:	C₅H₈Cl₂O
Molecular Weight:	155.024
Synonyms:	1,5-Dichloro-3-pentanone;Bis(2-chloroethyl) ketone;
Density:	1.183 g/cm³
Boiling Point:	225 °C at 760 mmHg
Flash Point:	90.6 °C
Appearance:	yellow to light brown liquid
Hazard Symbols:	Xi
Risk Codes:	25
Safety:	36-45
PSA:	17.07000
LogP:	1.81330

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Specification

The 3-Pentanone,1,5-dichloro- is an organic compound with the formula C₅H₈Cl₂O. The systematic name of this chemical is 1,5-dichloropentan-3-one. With the CAS registry number 3592-25-4, it is also named as 1,5-Dichloro-3-pentanone. The product's category is API Intermediates. Besides, this chemical is yellow to light brown liquid.

The other characteristics of 3-Pentanone,1,5-dichloro- can be summarized as: (1)ACD/LogP: 1.04; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.04; (4)ACD/LogD (pH 7.4): 1.04; (5)ACD/BCF (pH 5.5): 3.63; (6)ACD/BCF (pH 7.4): 3.63; (7)ACD/KOC (pH 5.5): 87.66; (8)ACD/KOC (pH 7.4): 87.66; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 17.07 Å²; (13)Index of Refraction: 1.446; (14)Molar Refractivity: 34.94 cm³; (15)Molar Volume: 130.9 cm³; (16)Polarizability: 13.85×10^-24 cm³; (17)Surface Tension: 32.6 dyne/cm; (18)Density: 1.183 g/cm³; (19)Flash Point: 90.6 °C; (20)Enthalpy of Vaporization: 46.15 kJ/mol; (21)Boiling Point: 225 °C at 760 mmHg; (22)Vapour Pressure: 0.0884 mmHg at 25°C.

People can use the following data to convert to the molecule structure.
1. SMILES:ClCCC(=O)CCCl
2. InChI:InChI=1/C5H8Cl2O/c6-3-1-5(8)2-4-7/h1-4H2
3. InChIKey:LYJQMHVYFFZQGY-UHFFFAOYAY
4. Std. InChI:InChI=1S/C5H8Cl2O/c6-3-1-5(8)2-4-7/h1-4H2
5. Std. InChIKey:LYJQMHVYFFZQGY-UHFFFAOYSA-N