Phenol, 2,4-dichloro-,carbonate (2:1) (9CI) supplier

Name
bis(2,4-dichlorophenyl) carbonate
EINECS 247-748-6
CAS No. 26496-99-1
Article Data5
CAS DataBase
Density 1.552 g/cm³
Solubility
Melting Point
Formula C₁₃H₆Cl₄O₃
Boiling Point 424.5 °C at 760 mmHg
Molecular Weight 352.001
Flash Point 168.9 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Carbonicacid, bis(2,4-dichlorophenyl) ester (6CI,7CI,8CI);Bis(2,4-dichlorophenyl)carbonate;NSC 40481;NSC 42119;NSC 50733;
PSA 35.53000
LogP 5.87800

Phenol, 2,4-dichloro-,carbonate (2:1) (9CI) Specification

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^-24cm³; (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

Product Name

bis(2,4-dichlorophenyl) carbonate

Phenol, 2,4-dichloro-,carbonate (2:1) (9CI) Specification

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