CAS No.29898-32-6,1,3-Dichloro-4-iodobenzene Suppliers,MSDS download

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Basic Information

Molecular Structure:
CAS No.:	29898-32-6
Name:	1,3-Dichloro-4-iodobenzene
Article Data:	9
Cas Database

Formula:	C₆H₃Cl₂I
Molecular Weight:	272.9
Synonyms:	2,4-Dichloro-1-iodobenzene;2,4-Dichloroiodobenzene;2,4-Dichlorophenyl iodide;NSC 90657;
EINECS:	249-938-4
Density:	2.015 g/cm³
Melting Point:	97-100 °C
Boiling Point:	261.3 °C at 760 mmHg
Flash Point:	111.8 °C
Appearance:	Clear colourless to light yellow liquid
Hazard Symbols:	Xi
Risk Codes:	36/37/38
Safety:	26-37/39
PSA:	0.00000
LogP:	3.59800

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Specification

The Benzene,2,4-dichloro-1-iodo-, with the CAS registry number 29898-32-6, is also known as 1,3-Dichloro-4-iodobenzene. It belongs to the product categories of Chlorine Compounds; Iodine Compounds; Aryl; C₆; Halogenated Hydrocarbons. Its EINECS number is 249-938-4. This chemical's molecular formula is C₆H₃Cl₂I and formula weight is 272.90. What's more, its IUPAC name is 2,4-dichloro-1-iodobenzene.

Physical properties of Benzene,2,4-dichloro-1-iodo- are: (1)ACD/LogP: 4.64; (2)# of Rule of 5 Violations: 0; (3)ACD/BCF (pH 5.5): 1982.74; (4)ACD/KOC (pH 5.5): 7975.91; (5)Index of Refraction: 1.642; (6)Molar Refractivity: 48.94 cm³; (7)Molar Volume: 135.4 cm³; (8)Surface Tension: 47 dyne/cm; (9)Density: 2.015 g/cm³; (10)Flash Point: 111.8 °C; (11)Enthalpy of Vaporization: 47.89 kJ/mol; (12)Boiling Point: 261.3 °C at 760 mmHg; (13)Vapour Pressure: 0.0189 mmHg at 25°C.

Uses of Benzene,2,4-dichloro-1-iodo-: it can be used to produce 2,4-dichlorobenzo[¹³C]nitrile with potassium (¹³C)cyanide at the temperature of 210°C. It will need reagent CuI and various solvent(s) with the reaction time of 17 hours. The yield is about 83.8%.

Benzene,2,4-dichloro-1-iodo- can be used to produce 2,4-dichlorobenzo[13C]nitrile with potassium (13C)cyanide at the temperature of 210°C

When you are using this chemical, please be cautious about it as the following:
It is also 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 should wear suitable protective clothing and gloves.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1=CC(=C(C=C1Cl)Cl)I
(2)InChI: InChI=1S/C6H3Cl2I/c7-4-1-2-6(9)5(8)3-4/h1-3H
(3)InChIKey: ZQKJCBDCOGLKCQ-UHFFFAOYSA-N