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CAS No.: | 35857-66-0 |
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Name: | 3-CHLORO-1-(3,4-DICHLOROPHENYL)-1-PROPANONE |
Article Data: | 6 |
Molecular Structure: | |
Formula: | C9H7Cl3O |
Molecular Weight: | 237.513 |
Synonyms: | 3,3',4'-Trichloropropiophenone;3-Chloro-1-(3,4-dichloro-phenyl)-propan-1-one;3-Chloro-1-(3,4-dichlorophenyl)-1-propanone; |
Density: | 1.374 g/cm3 |
Boiling Point: | 358.2 °C at 760 mmHg |
Flash Point: | 151.3 °C |
PSA: | 17.07000 |
LogP: | 3.80500 |
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The 1-Propanone,3-chloro-1-(3,4-dichlorophenyl)-, with the CAS registry number 35857-66-0, is also known as 3-Chloro-1-(3,4-dichlorophenyl)-1-propanone. This chemical's molecular formula is C9H7Cl3O and molecular weight is 237.51. What's more, its systematic name is 3-chloro-1-(3,4-dichlorophenyl)propan-1-one.
Physical properties of 1-Propanone,3-chloro-1-(3,4-dichlorophenyl)- are: (1)ACD/LogP: 3.63; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.63; (4)ACD/BCF (pH 5.5): 340.05; (5)ACD/KOC (pH 5.5): 2257.77 77; (6)#H bond acceptors: 1; (7)#H bond donors: 0; (8)#Freely Rotating Bonds: 3; (9)Polar Surface Area: 17.07 Å2; (10)Index of Refraction: 1.556; (11)Molar Refractivity: 55.55 cm3; (12)Molar Volume: 172.7 cm3; (13)Surface Tension: 43 dyne/cm; (14)Density: 1.374 g/cm3; (15)Flash Point: 151.3 °C; (16)Enthalpy of Vaporization: 60.37 kJ/mol; (17)Boiling Point: 358.2 °C at 760 mmHg; (18)Vapour Pressure: 2.59E-05 mmHg at 25°C.
Uses of 1-Propanone,3-chloro-1-(3,4-dichlorophenyl)-: it can be used to produce 1-chloro-3-(3,4-dichloro-phenyl)-pentan-3-ol. It will need solvent benzene with the reaction time of 1 hour. The yield is about 98%.
You can still convert the following datas into molecular structure:
(1)SMILES: Clc1ccc(cc1Cl)C(=O)CCCl
(2)InChI: InChI=1S/C9H7Cl3O/c10-4-3-9(13)6-1-2-7(11)8(12)5-6/h1-2,5H,3-4H2
(3)InChIKey: ULARDXFALKMJAJ-UHFFFAOYSA-N