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CAS No.: | 84604-89-7 |
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Name: | 1,1'-methylenebis[2,4-dichlorobenzene] |
Molecular Structure: | |
Formula: | C13H8Cl4 |
Molecular Weight: | 306.019 |
Synonyms: | 1,1'-Methanediylbis(2,4-dichlorobenzene); |
EINECS: | 283-373-4 |
Density: | 1.412 g/cm3 |
Boiling Point: | 374.5 °C at 760 mmHg |
Flash Point: | 179.9 °C |
PSA: | 0.00000 |
LogP: | 5.89100 |
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The Benzene,1,1'-methylenebis[2,4-dichloro- (9Cl), with the CAS registry number 84604-89-7, is also known as 1,1'-Methanediylbis(2,4-dichlorobenzene). Its EINECS number is 283-373-4. This chemical's molecular formula is C13H8Cl4 and molecular weight is 306.01. What's more, its IUPAC name 2,4-dichloro-1-[(2,4-dichlorophenyl)methyl]benzene.
Physical properties of Benzene,1,1'-methylenebis[2,4-dichloro- (9Cl) are: (1)ACD/LogP: 6.61; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 6.61; (4)ACD/LogD (pH 7.4): 6.61; (5)ACD/BCF (pH 5.5): 62402.54; (6)ACD/BCF (pH 7.4): 62402.54; (7)ACD/KOC (pH 5.5): 94186.16; (8)ACD/KOC (pH 7.4): 94186.16; (9)#H bond acceptors: 0; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: Å2; (13)Index of Refraction: 1.61; (14)Molar Refractivity: 75.14 cm3; (15)Molar Volume: 216.6 cm3; (16)Polarizability: 29.79×10-24cm3; (17)Surface Tension: 45.2 dyne/cm; (18)Density: 1.412 g/cm3; (19)Flash Point: 179.9 °C; (20)Enthalpy of Vaporization: 59.75 kJ/mol; (21)Boiling Point: 374.5 °C at 760 mmHg; (22)Vapour Pressure: 1.79E-05 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: Clc2cc(Cl)ccc2Cc1ccc(Cl)cc1Cl
(2)Std. InChI: InChI=1S/C13H8Cl4/c14-10-3-1-8(12(16)6-10)5-9-2-4-11(15)7-13(9)17/h1-4,6-7H,5H2
(3)Std. InChIKey: WVWJQTPTXDYDCM-UHFFFAOYSA-N