1,5-Dichloropentan-3-one supplier

Name
1 5-DICHLORO-3-PENTANONE
EINECS
CAS No. 3592-25-4
Article Data20
CAS DataBase
Density 1.183 g/cm³
Solubility
Melting Point
Formula C₅H₈Cl₂O
Boiling Point 225 °C at 760 mmHg
Molecular Weight 155.024
Flash Point 90.6 °C
Transport Information
Appearance yellow to light brown liquid
Safety 36-45
Risk Codes 25
Molecular Structure
Hazard Symbols Xi
Synonyms 1,5-Dichloro-3-pentanone;Bis(2-chloroethyl) ketone;
PSA 17.07000
LogP 1.81330

1,5-Dichloropentan-3-one 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

Product Name

1 5-DICHLORO-3-PENTANONE

1,5-Dichloropentan-3-one Specification

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