CAS No.6302-55-2,1-(4-Chlorophenyl)1,3-butanedione Suppliers

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Basic Information

Molecular Structure:
CAS No.:	6302-55-2
Name:	1-(4-Chlorophenyl)1,3-butanedione
Article Data:	29

Formula:	C₁₀H₉ClO₂
Molecular Weight:	196.633
Synonyms:	1,3-Butanedione,1-(p-chlorophenyl)- (6CI,7CI,8CI);(4-Chlorobenzoyl)acetone;(p-Chlorobenzoyl)acetone;1-(4-Chlorophenyl)-1,3-butanedione;1-(4-Chlorophenyl)-3-methyl-1,3-propanedione;1-(p-Chlorophenyl)-3-methyl-1,3-propanedione;1-(p-Chlorophenyl)butane-1,3-dione;4'-Chloro-2-acetylacetophenone;NSC 42232;NSC 42235;
Density:	1.205 g/cm³
Melting Point:	73-74 °C
Boiling Point:	312 °C at 760 mmHg
Flash Point:	131.1 °C
PSA:	34.14000
LogP:	2.50180

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Specification

The CAS register number of 1,3-Butanedione,1-(4-chlorophenyl)- is 6302-55-2. It also can be called as (4-Chlorobenzoyl)acetone and the systematic name about this chemical is 1-(4-chlorophenyl)butane-1,3-dione. The molecular formula about this chemical is C₁₀H₉ClO₂ and the molecular weight is 196.6303. It belongs to the following product categories which include Phenyls & Phenyl-Het; Phenyls & Phenyl-Het and so on.

Physical properties about 1,3-Butanedione,1-(4-chlorophenyl)- are: (1)ACD/LogP: 3.20; (2)#H bond acceptors: 2; (3)#Freely Rotating Bonds: 3; (4)Polar Surface Area: 34.14 Å²; (5)Index of Refraction: 1.531; (6)Molar Refractivity: 50.47 cm³; (7)Molar Volume: 163 cm³; (8)Polarizability: 20x10^-24cm³; (9)Surface Tension: 41.1 dyne/cm; (10)Density: 1.205 g/cm³; (11)Flash Point: 131.1 °C; (12)Enthalpy of Vaporization: 55.29 kJ/mol; (13)Boiling Point: 312 °C at 760 mmHg; (14)Vapour Pressure: 0.000544 mmHg at 25 °C.

Uses of 1,3-Butanedione,1-(4-chlorophenyl)-: it can be used to produce (7-chloro-3-methyl-4H-benzo[1,4]thiazin-2-yl)-(4-chloro-phenyl)-methanone with 2-amino-5-chloro-benzenethiol. This reaction will need solvent of dimethylsulfoxide. This reaction needs heating. The reaction time is 1 hour. The yield is about 55%.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(c1ccc(Cl)cc1)CC(=O)C
(2)InChI: InChI=1/C10H9ClO2/c1-7(12)6-10(13)8-2-4-9(11)5-3-8/h2-5H,6H2,1H3
(3)InChIKey: TVWDRSJRFMTIPQ-UHFFFAOYAW
(4)Std. InChI: InChI=1S/C10H9ClO2/c1-7(12)6-10(13)8-2-4-9(11)5-3-8/h2-5H,6H2,1H3
(5)Std. InChIKey: TVWDRSJRFMTIPQ-UHFFFAOYSA-N