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3-IODO-4-NITROANISOLE

3-IODO-4-NITROANISOLE structure

CAS No:
214279-40-0
Formula:
C7H6INO3
Chemical Name:
3-IODO-4-NITROANISOLE
Synonyms:
3-IODO-4-NITROANISOLE;4-NITRO-3-IODOANISOLE;3-Iodo-4-nitroanisole,97%;2-Iodo-4-Methoxy-1-nitrobenzene;3-Iodo-4-nitroanisole, 97% 5GR;2-Iodo-4-methoxy-1-nitrobenzene, 3-Iodo-4-nitrophenyl methyl ether;3-Iodo-4-nitroanisol
Categories:
Organic Chemistry > Coordination Complexes

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Description

yellow to orange-brown crystals or

3-IODO-4-NITROANISOLE Basic Attributes

Molecular Weight：

279.03

Exact Mass：

278.93900

DSSTox ID：

DTXSID70369919

HScode：

2909309090

Characteristics

PSA：

55.05000

XLogP3：

2.73120

Appearance：

Yellow to orange-brown Crystals or Crystalline Powder

Density：

1.893g/cm3

Melting Point：

68-73 °C

Boiling Point：

352.1ºC at 760 mmHg

Flash Point：

166.8ºC

Refractive Index：

1.629

Vapor Pressure：

7.95E-05mmHg at 25°C

Safety Information

hazard class code：

36-33-20/21/22

safety instructions：

36/37-22

Marks：

GHS Classification：

|Danger|H301+H311+H331 (100%): Toxic if swallowed, in contact with skin or if inhaled [Danger Acute toxicity, oral; acute toxicity, dermal; acute toxicity, inhalation]|P261, P264, P270, P271, P280, P301+P310, P302+P352, P304+P340, P305+P351+P338, P311, P312, P321, P322, P330, P332+P313, P337+P313, P361, P362, P363, P403+P233, P405, and P501|The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

3-IODO-4-NITROANISOLE Use and Manufacturing

Silak reaction tube equipped with a magnetic stirrer was charged with 6.2 mg of silver sulfate, 21.8 mg of copper acetate, 12.5 mg of 2, 9-dimethyl-1, 10-o-phenanthroline, 39.4 mg of 2-nitro-5-methoxybenzoic acid and 45 mg of sodium iodide4 mL of dimethyl sulfoxide.The reaction was heated at 160 ° C for 24 hours in the presence of oxygen.After the reaction was completed, distilled water was added to quench the reaction, Extraction with ethyl acetate 3 times, each time 10mL, The combined organic phases are concentrated, 35.2 mg of 2-nitro-5-methoxyiodobenzene was obtained in a yield of 63percent.2-(4-fluorophenyl)-4-methoxy-1-nitro-benzene Commercially available

Computed Properties

Molecular Weight:279.03
XLogP3:2.4
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:1
Exact Mass:278.93924
Monoisotopic Mass:278.93924
Topological Polar Surface Area:55
Heavy Atom Count:12
Complexity:171
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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