CAS No.6277-17-4,2-Iodo-1-methyl-3-nitro-benzene Suppliers

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Basic Information

Molecular Structure:
CAS No.:	6277-17-4
Name:	2-Iodo-1-methyl-3-nitro-benzene
Article Data:	18

Formula:	C₇H₆INO₂
Molecular Weight:	263.035
Synonyms:	Toluene,2-iodo-3-nitro- (7CI,8CI);2-Iodo-3-nitrotoluene;2-Methyl-6-nitroiodobenzene;NSC 35343;
Density:	1.883 g/cm³
Melting Point:	65.0 to 69.0 °C
Boiling Point:	301.4 °C at 760 mmHg
Flash Point:	136.1 °C
Hazard Symbols:	Xi
Risk Codes:	22
PSA:	45.82000
LogP:	3.03100

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Specification

The Benzene, 2-iodo-1-methyl-3-nitro-, with the CAS registry number of 6277-17-4, is also known as 2-Iodo-3-methylnitrobenzene. This chemical's molecular formula is C₇H₆INO₂ and molecular weight is 263.0325. What's more, its IUPAC name is 2-Iodo-1-methyl-3-nitrobenzene.

Physical properties about are: (1)ACD/LogP: 3.22; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 3; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 1; (6)Polar Surface Area: 45.82 Å²; (7)Index of Refraction: 1.643; (8)Molar Refractivity: 50.53 cm³; (9)Molar Volume: 139.6 cm³; (10)Polarizability: 20.03×10^-24 cm³; (11)Surface Tension: 52.5 dyne/cm; (12)Density: 1.883 g/cm³; (13)Flash Point: 136.1 °C; (14)Enthalpy of Vaporization: 51.99 kJ/mol; (15)Boiling Point: 301.4 °C at 760 mmHg; (16)Vapour Pressure: 0.00188 mmHg at 25 °C.

Uses: it is used to produce other chemicals. For example, it is used to produce 2, 2'-Dimethyl-6, 6'-dinitro-biphenyl at heating. This reaction needs reagent Cu and solvent Dimethylformamide. The reaction time is 8 hours. The yield is about 86 %.

You can still convert the following datas into molecular structure:
(1) SMILES: Ic1c([N+]([O-])=O)cccc1C
(2) InChI: InChI=1/C7H6INO2/c1-5-3-2-4-6(7(5)8)9(10)11/h2-4H,1H3
(3) InChIKey: AKYPSJARSQSCHJ-UHFFFAOYAU