Dibenzo[b,e][1,4]dioxin,2,3,7-trichloro-8-methyl- supplier

Name
2,3,7-trichloro-8-methyloxanthrene
EINECS
CAS No. 112344-57-7
Density 1.505 g/cm³
Solubility
Melting Point
Formula C₁₃H₇Cl₃O₂
Boiling Point 403.2 °C at 760 mmHg
Molecular Weight 301.5525
Flash Point 156 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms TMDD;2-Methyl-3,7,8-trichlorodibenzo-p-dioxin;
PSA
LogP

Dibenzo[b,e][1,4]dioxin,2,3,7-trichloro-8-methyl- Specification

The Dibenzo[b,e][1,4]dioxin,2,3,7-trichloro-8-methyl-, with the CAS registry number 112344-57-7, is also known as 2-Methyl-3,7,8-trichlorodibenzo-p-dioxin. This chemical's molecular formula is C₁₃H₇Cl₃O₂ and molecular weight is 301.5525. What's more, its IUPAC name is 2,3,7-Trichloro-8-methyldibenzo-p-dioxin.

Physical properties about Dibenzo[b,e][1,4]dioxin,2,3,7-trichloro-8-methyl- are: (1)ACD/LogP: 6.87; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 6.87; (4)ACD/LogD (pH 7.4): 6.87; (5)ACD/BCF (pH 5.5): 98389.88; (6)ACD/BCF (pH 7.4): 98389.88; (7)ACD/KOC (pH 5.5): 130476.67; (8)ACD/KOC (pH 7.4): 130476.67; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 18.46 Å²; (13)Index of Refraction: 1.637; (14)Molar Refractivity: 71.9 cm³; (15)Molar Volume: 200.2 cm³; (16)Polarizability: 28.5×10^-24cm³; (17)Surface Tension: 53.3 dyne/cm; (18)Density: 1.505 g/cm³; (19)Flash Point: 156 °C; (20)Enthalpy of Vaporization: 62.9 kJ/mol; (21)Boiling Point: 403.2 °C at 760 mmHg; (22)Vapour Pressure: 2.42E-06 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: Clc2cc1Oc3c(Oc1cc2Cl)cc(Cl)c(c3)C
(2) InChI: InChI=1/C13H7Cl3O2/c1-6-2-10-11(3-7(6)14)18-13-5-9(16)8(15)4-12(13)17-10/h2-5H,1H3
(3) InChIKey: XUOCRPPPSAFJCF-UHFFFAOYAP

Product Name

2,3,7-trichloro-8-methyloxanthrene

Dibenzo[b,e][1,4]dioxin,2,3,7-trichloro-8-methyl- Specification

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