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CAS No.: | 14401-72-0 |
---|---|
Name: | 3',5'-Dichloroacetophenone |
Article Data: | 6 |
Molecular Structure: | |
Formula: | C8H6Cl2O |
Molecular Weight: | 189.041 |
Synonyms: | Acetophenone,3',5'-dichloro- (8CI);1-(3,5-Dichlorophenyl)ethanone;3',5'-Dichloroacetophenone; |
Density: | 1.304g/cm3 |
Melting Point: | 26 °C |
Boiling Point: | 285.4 °C at 760 mmHg |
Flash Point: | 119 °C |
Risk Codes: | 36/37/38 |
Safety: | 26-36/37/39 |
PSA: | 17.07000 |
LogP: | 3.19600 |
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The Ethanone,1-(3,5-dichlorophenyl)-, with CAS registry number 14401-72-0, belongs to the following product categories: (1)Aromatic Acetophenones & Derivatives (substituted); (2)Adehydes, Acetals & Ketones; (3)Chlorine Compounds. It has the systematic name of 1-(3,5-dichlorophenyl)ethanone. And the chemical formula of this chemical is C8H6Cl2O.
Physical properties of Ethanone,1-(3,5-dichlorophenyl)-: (1)ACD/LogP: 3.37; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.37; (4)ACD/LogD (pH 7.4): 3.37; (5)ACD/BCF (pH 5.5): 213.44; (6)ACD/BCF (pH 7.4): 213.44; (7)ACD/KOC (pH 5.5): 1617.71; (8)ACD/KOC (pH 7.4): 1617.71; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 17.07 Å2; (13)Index of Refraction: 1.548; (14)Molar Refractivity: 46.07 cm3; (15)Molar Volume: 144.8 cm3; (16)Polarizability: 18.26×10-24cm3; (17)Surface Tension: 39.9 dyne/cm; (18)Enthalpy of Vaporization: 52.45 kJ/mol; (19)Vapour Pressure: 0.00281 mmHg at 25°C.
When you are using this chemical, please be cautious about it as the following:
The Ethanone,1-(3,5-dichlorophenyl)- irritates to eyes, respiratory system and skin. When use it, wear suitable protective clothing, gloves and eye/face protection. If contact with eyes, rinse immediately with plenty of water and seek medical advice.
You can still convert the following datas into molecular structure:
(1)SMILES: Clc1cc(C(=O)C)cc(Cl)c1
(2)InChI: InChI=1/C8H6Cl2O/c1-5(11)6-2-7(9)4-8(10)3-6/h2-4H,1H3
(3)InChIKey: JGMBBKVZFUHCJC-UHFFFAOYAT
(4)Std. InChI: InChI=1S/C8H6Cl2O/c1-5(11)6-2-7(9)4-8(10)3-6/h2-4H,1H3
(5)Std. InChIKey: JGMBBKVZFUHCJC-UHFFFAOYSA-N