CAS No.634-85-5,2,3,5-TRICHLORO-1,4-BENZOQUINONE Suppliers

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Basic Information

Molecular Structure:
CAS No.:	634-85-5
Name:	2,3,5-TRICHLORO-1,4-BENZOQUINONE
Article Data:	19

Formula:	C₆HCl₃O₂
Molecular Weight:	211.432
Synonyms:	Quinone,trichloro- (3CI);p-Benzoquinone, 2,3,5-trichloro- (8CI);p-Benzoquinone,trichloro- (6CI,7CI);2,3,5-Trichloro-1,4-benzoquinone;2,3,5-Trichloro-p-benzoquinone;NSC 401085;Trichloro-1,4-benzoquinone;Trichloro-p-benzoquinone;Trichlorobenzoquinone;Trichloro-4-benzoquinone;
Density:	1.69 g/cm³
Boiling Point:	255.3 °C at 760 mmHg
Flash Point:	105 °C
PSA:	34.14000
LogP:	1.95010

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Specification

The 2,5-Cyclohexadiene-1,4-dione,2,3,5-trichloro-, with the CAS registry number 634-85-5, is also known as 2,3,5-Trichloro-1,4-benzoquinone. This chemical's molecular formula is C₆HCl₃O₂ and molecular weight is 211.43. What's more, its systematic name is 2,3,5-trichlorocyclohexa-2,5-diene-1,4-dione.

Physical properties of 2,5-Cyclohexadiene-1,4-dione,2,3,5-trichloro- are: (1)ACD/LogP: 1.02; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.02; (4)ACD/LogD (pH 7.4): 1.02; (5)ACD/BCF (pH 5.5): 3.5; (6)ACD/BCF (pH 7.4): 3.5; (7)ACD/KOC (pH 5.5): 85.37; (8)ACD/KOC (pH 7.4): 85.37; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 34.14 Å²; (13)Index of Refraction: 1.582; (14)Molar Refractivity: 41.64 cm³; (15)Molar Volume: 124.6 cm³; (16)Polarizability: 16.51×10^-24cm³; (17)Surface Tension: 50.2 dyne/cm; (18)Density: 1.69 g/cm³; (19)Flash Point: 105 °C; (20)Enthalpy of Vaporization: 49.28 kJ/mol; (21)Boiling Point: 255.3 °C at 760 mmHg; (22)Vapour Pressure: 0.0164 mmHg at 25°C.

Preparation of 2,5-Cyclohexadiene-1,4-dione,2,3,5-trichloro-: this chemical can be prepared by [1,4]benzoquinone at the temperature of 110 °C. This reaction will need reagent copper(II) chloride on alumina and solvent chlorobenzene with the reaction time of 6 hours. The yield is about 50%.

2,5-Cyclohexadiene-1,4-dione,2,3,5-trichloro- can be prepared by [1,4]benzoquinone at the temperature of 110 °C

Uses of 2,5-Cyclohexadiene-1,4-dione,2,3,5-trichloro-: it can be used to produce 2,3-dichloro-6-hydroxy-[1,4]naphthoquinone. The yield is about 95%.

2,5-Cyclohexadiene-1,4-dione,2,3,5-trichloro- can be used to produce 2,3-dichloro-6-hydroxy-[1,4]naphthoquinone

You can still convert the following datas into molecular structure:
(1)SMILES: ClC=1C(=O)\C=C(\Cl)C(=O)C=1Cl
(2)InChI: InChI=1S/C6HCl3O2/c7-2-1-3(10)4(8)5(9)6(2)11/h1H
(3)InChIKey: KSFNQTZBTVALRV-UHFFFAOYSA-N