1-(4-Chlorophenyl)-1,2-propandione supplier

Name
1-(4-Chlorophenyl)-1,2-propandione
EINECS
CAS No. 10557-21-8
Article Data13
CAS DataBase
Density 1.246 g/cm³
Solubility
Melting Point 30-32 °C
Formula C₉H₇ClO₂
Boiling Point 276.7 °C at 760 mmHg
Molecular Weight 182.606
Flash Point 115 °C
Transport Information
Appearance
Safety
Risk Codes Xi:Irritant;
Molecular Structure
Hazard Symbols Xi
Synonyms 1,2-Propanedione,1-(p-chlorophenyl)- (6CI,7CI,8CI);1-(4-Chlorophenyl)-1,2-propanedione;1-(p-Chlorophenyl)-1,2-propanedione;
PSA 34.14000
LogP 2.11170

1-(4-Chlorophenyl)-1,2-propandione Specification

The 1-(4-Chlorophenyl)-1,2-propandione is an organic compound with the formula C₉H₇ClO₂. The systematic name of this chemical is 1-(4-chlorophenyl)propane-1,2-dione. With the CAS registry number 10557-21-8, it is also named as 1,2-Propanedione, 1-(4-chlorophenyl)-.

Physical properties about 1-(4-Chlorophenyl)-1,2-propandione are: (1)ACD/LogP: 1.58; (2)ACD/LogD (pH 5.5): 1.58; (3)ACD/LogD (pH 7.4): 1.58; (4)ACD/BCF (pH 5.5): 9.37; (5)ACD/BCF (pH 7.4): 9.37; (6)ACD/KOC (pH 5.5): 172.72; (7)ACD/KOC (pH 7.4): 172.72; (8)#H bond acceptors: 2; (9)#Freely Rotating Bonds: 2; (10)Polar Surface Area: 34.14 Å²; (11)Index of Refraction: 1.538; (12)Molar Refractivity: 45.83 cm³; (13)Molar Volume: 146.5 cm³; (14)Polarizability: 18.17×10^-24cm³; (15)Surface Tension: 42 dyne/cm; (16)Density: 1.246 g/cm³; (17)Flash Point: 115 °C; (18)Enthalpy of Vaporization: 51.52 kJ/mol; (19)Boiling Point: 276.7 °C at 760 mmHg; (20)Vapour Pressure: 0.00474 mmHg at 25°C.

Preparation: this chemical can be prepared by 1-(4-chloro-phenyl)-2,2-dimethoxy-propan-1-one. This reaction will need reagent aq. sulfuric acid by heating. The yield is about 86%.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(c1ccc(Cl)cc1)C(=O)C
(2)InChI: InChI=1/C9H7ClO2/c1-6(11)9(12)7-2-4-8(10)5-3-7/h2-5H,1H3
(3)InChIKey: HOZREFFNUJAHQP-UHFFFAOYAS
(4)Std. InChI: InChI=1S/C9H7ClO2/c1-6(11)9(12)7-2-4-8(10)5-3-7/h2-5H,1H3
(5)Std. InChIKey: HOZREFFNUJAHQP-UHFFFAOYSA-N

Product Name

1-(4-Chlorophenyl)-1,2-propandione

1-(4-Chlorophenyl)-1,2-propandione Specification

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