Name: 2-IODO-5-NITROANISOLE
SKU: 5458-84-4

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Basic Information

Molecular Structure:
CAS No.:	5458-84-4
Name:	2-IODO-5-NITROANISOLE
Article Data:	1

Formula:	C₇H₆INO₃
Molecular Weight:	279.034
Synonyms:	Anisole,2-iodo-5-nitro- (6CI,7CI,8CI);1-Iodo-2-methoxy-4-nitrobenzene;2-Iodo-5-nitroanisole;3-Methoxy-4-iodonitrobenzene;4-Iodo-3-methoxynitrobenzene;NSC 24644;
Density:	1.893 g/cm³
Melting Point:	128-130°C
Boiling Point:	341.2 °C at 760 mmHg
Flash Point:	160.1 °C
Risk Codes:	36/37/38
Safety:	26-36/37/39
PSA:	55.05000
LogP:	2.73120

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Specification

The Benzene,1-iodo-2-methoxy-4-nitro-, with the CAS registry number 5458-84-4, is also known as 2-Iodo-5-nitroanisole. It belongs to the product categories of Anisole; Anisoles, Alkyloxy Compounds & Phenylacetates; Iodine Compounds; Nitro Compounds. This chemical's molecular formula is C₇H₆INO₃ and formula weight is 279.03. What's more, its IUPAC name is 1-iodo-2-methoxy-4-nitrobenzene.

Physical properties of Benzene,1-iodo-2-methoxy-4-nitro- are: (1)ACD/LogP: 3.30; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 4; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 2; (6)Polar Surface Area: 55.05 Å²; (7)Index of Refraction: 1.629; (8)Molar Refractivity: 52.38 cm³; (9)Molar Volume: 147.3 cm³; (10)Surface Tension: 51.6 dyne/cm; (11)Density: 1.893 g/cm³; (12)Flash Point: 160.1 °C; (13)Enthalpy of Vaporization: 56.16 kJ/mol; (14)Boiling Point: 341.2 °C at 760 mmHg; (15)Vapour Pressure: 0.000162 mmHg at 25°C.

Uses of Benzene,1-iodo-2-methoxy-4-nitro-: it can be used to produce bis(2-methoxy-4-nitrophenyl) telluride at the temperature of 130 - 140°C. It will need reagent sodium telluride, CuI and various solvent(s) with the reaction time of 4 hours. The yield is about 65%.

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 should wear suitable protective clothing, you should also wear suitable gloves and eye/face protection.

You can still convert the following datas into molecular structure:
(1)SMILES: Ic1ccc(cc1OC)[N+]([O-])=O
(2)InChI: InChI=1S/C7H6INO3/c1-12-7-4-5(9(10)11)2-3-6(7)8/h2-4H,1H3
(3)InChIKey: RBFWMPRFYROKPI-UHFFFAOYSA-N