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CAS No.: | 26496-99-1 |
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Name: | bis(2,4-dichlorophenyl) carbonate |
Article Data: | 5 |
Molecular Structure: | |
Formula: | C13H6Cl4O3 |
Molecular Weight: | 352.001 |
Synonyms: | Carbonicacid, bis(2,4-dichlorophenyl) ester (6CI,7CI,8CI);Bis(2,4-dichlorophenyl)carbonate;NSC 40481;NSC 42119;NSC 50733; |
EINECS: | 247-748-6 |
Density: | 1.552 g/cm3 |
Boiling Point: | 424.5 °C at 760 mmHg |
Flash Point: | 168.9 °C |
PSA: | 35.53000 |
LogP: | 5.87800 |
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The Phenol, 2,4-dichloro-,carbonate (2:1) (9CI), with the CAS registry number 26496-99-1, is also known as Carbonic acid bis(2,4-dichlorophenyl) ester. This chemical's molecular formula is C13H6Cl4O3 and molecular weight is 352.00. What's more, its systematic name is Bis(2,4-dichlorophenyl) carbonate and its EINECS number is 247-748-6.
Physical properties of Phenol, 2,4-dichloro-,carbonate (2:1) (9CI) are: (1)ACD/LogP: 6.08; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 6.08; (4)ACD/LogD (pH 7.4): 6.08; (5)ACD/BCF (pH 5.5): 24725.01; (6)ACD/BCF (pH 7.4): 24725.01; (7)ACD/KOC (pH 5.5): 48550.37; (8)ACD/KOC (pH 7.4): 48550.37; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 35.53 Å2; (13)Index of Refraction: 1.611; (14)Molar Refractivity: 78.79 cm3; (15)Molar Volume: 226.7 cm3; (16)Polarizability: 31.23×10-24 cm3; (17)Surface Tension: 50.5 dyne/cm; (18)Density: 1.552 g/cm3; (19)Flash Point: 168.9 °C; (20)Enthalpy of Vaporization: 67.9 kJ/mol; (21)Boiling Point: 424.5 °C at 760 mmHg; (22)Vapour Pressure: 2.05E-07 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1=CC(=C(C=C1Cl)Cl)OC(=O)OC2=C(C=C(C=C2)Cl)Cl
(2)InChI: InChI=1S/C13H6Cl4O3/c14-7-1-3-11(9(16)5-7)19-13(18)20-12-4-2-8(15)6-10(12)17/h1-6H
(3)InChIKey: HBLSZXRYFSCREB-UHFFFAOYSA-N