CAS No.42048-11-3,2-Chloro-6-iodotoluene Suppliers

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Basic Information

Molecular Structure:
CAS No.:	42048-11-3
Name:	2-Chloro-6-iodotoluene
Article Data:	2

Formula:	C₇H₆ClI
Molecular Weight:	252.482
Synonyms:	2-Iodo-6-chlorotoluene;2-Chloro-6-iodotoluene;1-Chloro-3-iodo-2-methylbenzene;
Density:	1.806 g/cm³
Melting Point:	11 °C
Boiling Point:	243 °C at 760 mmHg
Flash Point:	100.8 °C
Hazard Symbols:	Xi
Risk Codes:	36/37/38
Safety:	26-36/37/39
PSA:	0.00000
LogP:	3.25300

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Specification

The 2-Chloro-6-iodotoluene, with the CAS registry number 42048-11-3, is also known as 6-Chloro-2-iodotoluene. It belongs to the product categories of Halogen Toluene; Chlorine Compounds; Iodine Compounds. This chemical's molecular formula is C₇H₆ClI and molecular weight is 252.48. Its IUPAC name is called 1-chloro-3-iodo-2-methylbenzene. What's more, the product should be sealed and stored in cool and dry place.

Physical properties of 2-Chloro-6-iodotoluene: (1)ACD/LogP: 3.85; (2)ACD/LogD (pH 5.5): 3.85; (3)ACD/LogD (pH 7.4): 3.85; (4)ACD/BCF (pH 5.5): 496.34; (5)ACD/BCF (pH 7.4): 496.34; (6)ACD/KOC (pH 5.5): 2959.68; (7)ACD/KOC (pH 7.4): 2959.68; (8)Index of Refraction: 1.616; (9)Molar Refractivity: 48.87 cm³; (10)Molar Volume: 139.7 cm³; (11)Surface Tension: 42.3 dyne/cm; (12)Density: 1.806 g/cm³; (13)Flash Point: 100.8 °C; (14)Enthalpy of Vaporization: 46.05 kJ/mol; (15)Boiling Point: 243 °C at 760 mmHg; (16)Vapour Pressure: 0.0513 mmHg at 25°C.

Uses of 2-Chloro-6-iodotoluene: it can be used to produce 3,3'-dichloro-2,2'-dimethylbiphenyl with 3-chloro-2-methylphenylmagnesium chloride by heating. This reaction will need reagent NiCl₂(PPh₃)₂ and solvent tetrahydrofuran with reaction time of 2 hours. The yield is about 67%.

2-Chloro-6-iodotoluene can be used to produce 3,3'-dichloro-2,2'-dimethylbiphenyl with 3-chloro-2-methylphenylmagnesium chloride by heating

When you are using this chemical, please be cautious about it as the following:
This chemical may cause inflammation to the skin or other mucous membranes. 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. Whenever you will contact it, please wear suitable protective clothing, gloves and eye/face protection.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CC1=C(C=CC=C1I)Cl
(2)InChI: InChI=1S/C7H6ClI/c1-5-6(8)3-2-4-7(5)9/h2-4H,1H3
(3)InChIKey: OEHHXVIJMCMYGM-UHFFFAOYSA-N