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| CAS No.: | 58755-70-7 |
|---|---|
| Name: | 4-Iodo-3-nitroanisole |
| Article Data: | 23 |
| Molecular Structure: | |
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| Formula: | C7H6INO3 |
| Molecular Weight: | 279.034 |
| Synonyms: | 1-Iodo-4-methoxy-2-nitrobenzene;3-Nitro-4-iodoanisole;4-Iodo-3-nitroanisole;NSC 158572; |
| Density: | 1.893 g/cm3 |
| Melting Point: | 61-62 °C |
| Boiling Point: | 330.8 °C at 760 mmHg |
| Flash Point: | 153.8 °C |
| Hazard Symbols: |
 Xi
|
| Risk Codes: | 36/37/38 |
| Safety: | 26-36/37/39 |
| PSA: | 55.05000 |
| LogP: | 2.73120 |
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Specification
This chemical is called 4-Iodo-3-nitroanisole, and its systematic name is 1-Iodo-4-methoxy-2-nitrobenzene. With the molecular formula of C7H6INO3, its molecular weight is 279.03. The CAS registry number of this chemical is 58755-70-7. Additionally, its product category is Aromatic Ethers. This chemiccal should be sealed in the cool and dry place, away from the oxides and light.
Other characteristics of the 4-Iodo-3-nitroanisole can be summarised as followings: (1)ACD/LogP: 3.21; (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)Polarizability: 20.76×10-24cm3; (11)Surface Tension: 51.6 dyne/cm; (12)Density: 1.893 g/cm3; (13)Flash Point: 153.8 °C; (14)Enthalpy of Vaporization: 55.06 kJ/mol; (15)Boiling Point: 330.8 °C at 760 mmHg; (16)Vapour Pressure: 0.000313 mmHg at 25°C.
Uses of this chemical: The 4,4'-dimethoxy-2,2'-dinitro-biphenyl could be obtained by the reactant of 4-Iodo-3-nitroanisole. This reaction needs the reagent of copper-powder. This reaction should be taken at the temperature of 130-170 °C.
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When you are using this chemical, please be cautious about it as the following: This chemical is irritating to eyes, respiratory system and skin. You should wear suitable protective clothing when you use it. In case of contacting with eyes, rinse immediately with plenty of water and seek medical advice.
You can still convert the following datas into molecular structure:
1.SMILES: [O-][N+](=O)c1c(I)ccc(OC)c1
2.InChI: InChI=1/C7H6INO3/c1-12-5-2-3-6(8)7(4-5)9(10)11/h2-4H,1H3
3.InChIKey: JWZODIRSJJQOKY-UHFFFAOYAR