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Benzene,1,2,4-trichloro-5-iodo-

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Name

Benzene,1,2,4-trichloro-5-iodo-

EINECS N/A
CAS No. 7145-82-6 Density 2.085 g/cm3
PSA 0.00000 LogP 4.25140
Solubility Insoluble in water. Melting Point 104-106 °C(lit.)
Formula C6H2Cl3I Boiling Point 292.8 °C at 760 mmHg
Molecular Weight 307.345 Flash Point 130.9 °C
Transport Information N/A Appearance N/A
Safety 26-36 Risk Codes 36/37/38
Molecular Structure Molecular Structure of 7145-82-6 (1-IODO-2,4,5-TRICHLOROBENZENE) Hazard Symbols R36/37/38:Irritating to eyes, respiratory system and skin.;
Synonyms

2,4,5-Trichloroiodobenzene;1-Iodo-2,4,5-Trichlorobenzene;

Article Data 6

Benzene,1,2,4-trichloro-5-iodo- Specification

The Benzene,1,2,4-trichloro-5-iodo-, with the CAS registry number 7145-82-6, is also known as 2,4,5-Trichloroiodobenzene. It belongs to the product categories of Chlorine Compounds; Iodine Compounds. This chemical's molecular formula is C6H2Cl3I and molecular weight is 307.34. What's more, its IUPAC name is 1,2,4-trichloro-5-iodobenzene.

Physical properties of Benzene,1,2,4-trichloro-5-iodo- are: (1)ACD/LogP: 4.58; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 0; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 0; (6)Polar Surface Area: 0 Å2; (7)Index of Refraction: 1.651; (8)Molar Refractivity: 53.84 cm3; (9)Molar Volume: 147.3 cm3; (10)Polarizability: 21.34×10-24cm3; (11)Surface Tension: 49.3 dyne/cm; (12)Density: 2.085 g/cm3; (13)Flash Point: 130.9 °C; (14)Enthalpy of Vaporization: 51.1 kJ/mol; (15)Boiling Point: 292.8 °C at 760 mmHg; (16)Vapour Pressure: 0.00314 mmHg at 25°C.

Preparation: this chemical can be prepared by bis(2,4,5-trichlorophenyl)mercury. It will need reagent iodine and solvent dimethylformamide. The yield is about 51%.

Benzene,1,2,4-trichloro-5-iodo- can be prepared by bis(2,4,5-trichlorophenyl)mercury

Uses of Benzene,1,2,4-trichloro-5-iodo-: it can be used to produce 3-(2,4,5-trichloro-phenyl)-acrylic acid tert-butyl ester at the temperature of 80°C. This reaction will need reagents Pd(OAc)3, PPh3, Bu3N and solvent dimethylformamide with the reaction time of 3 hours. The yield is about 75%.

Benzene,1,2,4-trichloro-5-iodo- can be used to produce 3-(2,4,5-trichloro-phenyl)-acrylic acid tert-butyl ester at the temperature of 80°C

When you are using this chemical, please be cautious about it as the following:
It is irritating to eyes, respiratory system and skin. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. When using it, you need wear suitable protective clothing.

You can still convert the following datas into molecular structure:
(1)SMILES: Ic1c(Cl)cc(Cl)c(Cl)c1
(2)Std. InChI: InChI=1S/C6H2Cl3I/c7-3-1-5(9)6(10)2-4(3)8/h1-2H
(3)Std. InChIKey: KKXMBRLCXIPURK-UHFFFAOYSA-N

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