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CAS No.: | 10541-71-6 |
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Name: | 1,4-dichloro-2-(trichloromethyl)benzene |
Article Data: | 5 |
Molecular Structure: | |
Formula: | C7H3Cl5 |
Molecular Weight: | 264.366 |
Synonyms: | 1-(Trichloromethyl)-2,5-dichlorobenzene;1,4-Dichloro-2-(trichloromethyl)benzene; |
EINECS: | 234-120-1 |
Density: | 1.605 g/cm3 |
Boiling Point: | 283.3 °C at 760 mmHg |
Flash Point: | 126.5 °C |
PSA: | 0.00000 |
LogP: | 4.82010 |
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The Benzene,1,4-dichloro-2-(trichloromethyl)-, with the CAS registry number 10541-71-6, is also known as 1-(Trichloromethyl)-2,5-dichlorobenzene. Its EINECS number is 234-120-1. This chemical's molecular formula is C7H3Cl5 and molecular weight is 264.36. What's more, its systematic name is 1,4-dichloro-2-(trichloromethyl)benzene.
Physical properties of Benzene,1,4-dichloro-2-(trichloromethyl)- are: (1)ACD/LogP: 4.46; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4.46; (4)ACD/LogD (pH 7.4): 4.46; (5)ACD/BCF (pH 5.5): 1446.5; (6)ACD/BCF (pH 7.4): 1446.5; (7)ACD/KOC (pH 5.5): 6364.35; (8)ACD/KOC (pH 7.4): 6364.35; (9)#H bond acceptors: 0; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 0 Å2; (13)Index of Refraction: 1.583; (14)Molar Refractivity: 55.07 cm3; (15)Molar Volume: 164.6 cm3; (16)Polarizability: 21.83×10-24cm3; (17)Surface Tension: 43.5 dyne/cm; (18)Density: 1.605 g/cm3; (19)Flash Point: 126.5 °C; (20)Enthalpy of Vaporization: 50.12 kJ/mol; (21)Boiling Point: 283.3 °C at 760 mmHg; (22)Vapour Pressure: 0.00547 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: ClC(Cl)(Cl)c1cc(Cl)ccc1Cl
(2)Std. InChI: InChI=1S/C7H3Cl5/c8-4-1-2-6(9)5(3-4)7(10,11)12/h1-3H
(3)Std. InChIKey: GSRCWOBJTVTICJ-UHFFFAOYSA-N