2-Propenoic acid,(2,4,5,6-tetrachloro-1,3-phenylene)bis(methylene) ester (9CI) supplier

Name
(tetrachloro-1,3-phenylene)bismethylene diacrylate
EINECS 253-267-2
CAS No. 36904-99-1
Density 1.443 g/cm³
Solubility
Melting Point
Formula C₁₄H₁₀Cl₄O₄
Boiling Point 433.5 °C at 760 mmHg
Molecular Weight 384.043
Flash Point 160.6 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 2,4,5,6-Tetrachlorobenzene-1,3-dimethanoldiacrylate;(2,4,5,6-tetrachlorobenzene-1,3-diyl)dimethanediyl bisprop-2-enoate;
PSA 52.60000
LogP 4.75860

2-Propenoic acid,(2,4,5,6-tetrachloro-1,3-phenylene)bis(methylene) ester (9CI) Specification

The 2-Propenoic acid,(2,4,5,6-tetrachloro-1,3-phenylene)bis(methylene) ester (9CI), with the CAS registry number 36904-99-1 and EINECS registry number 253-267-2, has the systematic name of (2,4,5,6-tetrachlorobenzene-1,3-diyl)dimethanediyl bisprop-2-enoate. And the molecular formula of the chemical is C₁₄H₁₀Cl₄O₄.

The characteristics of 2-Propenoic acid,(2,4,5,6-tetrachloro-1,3-phenylene)bis(methylene) ester (9CI) are as followings: (1)ACD/LogP: 4.42; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4.42; (4)ACD/LogD (pH 7.4): 4.42; (5)ACD/BCF (pH 5.5): 1337.37; (6)ACD/BCF (pH 7.4): 1337.37; (7)ACD/KOC (pH 5.5): 6016.86; (8)ACD/KOC (pH 7.4): 6016.86; (9)#H bond acceptors: 4; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 8; (12)Polar Surface Area: 52.6 Å²; (13)Index of Refraction: 1.563; (14)Molar Refractivity: 86.46 cm³; (15)Molar Volume: 266 cm³; (16)Polarizability: 34.27×10^-24cm³; (17)Surface Tension: 45.3 dyne/cm; (18)Density: 1.443 g/cm³; (19)Flash Point: 160.6 °C; (20)Enthalpy of Vaporization: 68.94 kJ/mol; (21)Boiling Point: 433.5 °C at 760 mmHg; (22)Vapour Pressure: 1.02E-07 mmHg at 25°C.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: Clc1c(COC(=O)C=C)c(Cl)c(COC(=O)C=C)c(Cl)c1Cl
(2)InChI: InChI=1/C14H10Cl4O4/c1-3-9(19)21-5-7-11(15)8(6-22-10(20)4-2)13(17)14(18)12(7)16/h3-4H,1-2,5-6H2
(3)InChIKey: ZHRMOJZUBUMONY-UHFFFAOYAG

Product Name

(tetrachloro-1,3-phenylene)bismethylene diacrylate

2-Propenoic acid,(2,4,5,6-tetrachloro-1,3-phenylene)bis(methylene) ester (9CI) Specification

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