Name: 1-IODO-2,4,5-TRICHLOROBENZENE
SKU: 7145-82-6

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Basic Information

Molecular Structure:
CAS No.:	7145-82-6
Name:	1-IODO-2,4,5-TRICHLOROBENZENE
Article Data:	6

Formula:	C₆H₂Cl₃I
Molecular Weight:	307.345
Synonyms:	2,4,5-Trichloroiodobenzene;1-Iodo-2,4,5-Trichlorobenzene;
Density:	2.085 g/cm³
Melting Point:	104-106 °C(lit.)
Boiling Point:	292.8 °C at 760 mmHg
Flash Point:	130.9 °C
Solubility:	Insoluble in water.
Hazard Symbols:	R36/37/38:Irritating to eyes, respiratory system and skin.;
Risk Codes:	36/37/38
Safety:	26-36
PSA:	0.00000
LogP:	4.25140

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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