2,4-Dichlorobutyrophenone supplier

Name
2,4-Dichlorobutyrophenone
EINECS 613-927-6
CAS No. 66353-47-7
Article Data3
CAS DataBase
Density 1.22 g/cm³
Solubility
Melting Point
Formula C₁₀H₁₀Cl₂O
Boiling Point 280.687 °C at 760 mmHg
Molecular Weight 217.095
Flash Point 116.849 °C
Transport Information
Appearance
Safety
Risk Codes R36/37/38
Molecular Structure
Hazard Symbols Xi
Synonyms 2,4-Dichlorophenylpropyl ketone;1-(2,4-Dichlorophenyl)butan-1-one;
PSA 17.07000
LogP 3.97620

2,4-Dichlorobutyrophenone Specification

The 1-Butanone,1-(2,4-dichlorophenyl)-, with the CAS registry number 66353-47-7, is also known as 2,4-Dichlorophenylpropyl ketone. It belongs to the product category of Acetophenone Series. This chemical's molecular formula is C₁₀H₁₀Cl₂O and molecular weight is 217.09. What's more, its systematic name is 1-(2,4-dichlorophenyl)butan-1-one. It is stable at common pressure and temperature, and it should be sealed and stored in a cool and dry place. Moreover, it should be protected from oxides, heat and fire.

Physical properties of 1-Butanone,1-(2,4-dichlorophenyl)- are: (1)ACD/LogP: 4.01; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4; (4)ACD/LogD (pH 7.4): 4; (5)ACD/BCF (pH 5.5): 497; (6)ACD/BCF (pH 7.4): 497; (7)ACD/KOC (pH 5.5): 2961; (8)ACD/KOC (pH 7.4): 2961; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 17.07 Å²; (13)Index of Refraction: 1.535; (14)Molar Refractivity: 55.337 cm³; (15)Molar Volume: 177.879 cm³; (16)Polarizability: 21.937×10^-24cm³; (17)Surface Tension: 38.735 dyne/cm; (18)Density: 1.22 g/cm³; (19)Flash Point: 116.849 °C; (20)Enthalpy of Vaporization: 51.944 kJ/mol; (21)Boiling Point: 280.687 °C at 760 mmHg; (22)Vapour Pressure: 0.004 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(CCC)c1ccc(Cl)cc1Cl
(2)Std. InChI: InChI=1S/C10H10Cl2O/c1-2-3-10(13)8-5-4-7(11)6-9(8)12/h4-6H,2-3H2,1H3
(3)Std. InChIKey: FXCJYMLJTUZGDU-UHFFFAOYSA-N

Product Name

2,4-Dichlorobutyrophenone

2,4-Dichlorobutyrophenone Specification

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