ChemicalBook--->CAS DataBase List--->89459-38-1

89459-38-1

89459-38-1 Structure

89459-38-1 Structure
IdentificationBack Directory
[Name]

2-Iodo-4-nitrobenzoic acid
[CAS]

89459-38-1
[Synonyms]

2-Iodo-4-nitrobenzoic acid
Benzoic acid, 2-iodo-4-nitro-
[EINECS(EC#)]

604-604-1
[Molecular Formula]

C7H4INO4
[MDL Number]

MFCD00956495
[MOL File]

89459-38-1.mol
[Molecular Weight]

293.02
Chemical PropertiesBack Directory
[Melting point ]

142 °C
[Boiling point ]

402.8±35.0 °C(Predicted)
[density ]

2.156±0.06 g/cm3(Predicted)
[storage temp. ]

2-8°C(protect from light)
[form ]

solid
[pka]

1.99±0.13(Predicted)
[Appearance]

Light yellow to yellow Solid
[InChI]

InChI=1S/C7H4INO4/c8-6-3-4(9(12)13)1-2-5(6)7(10)11/h1-3H,(H,10,11)
[InChIKey]

SQICTGFCQITYDT-UHFFFAOYSA-N
[SMILES]

C(O)(=O)C1=CC=C([N+]([O-])=O)C=C1I
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H302
[Precautionary statements ]

P280-P305+P351+P338
[Hazard Codes ]

Xn
[Risk Statements ]

22
[WGK Germany ]

WGK 3
[HS Code ]

2916399090
[Storage Class]

11 - Combustible Solids
[Hazard Classifications]

Acute Tox. 4 Oral
Spectrum DetailBack Directory
[Spectrum Detail]

2-Iodo-4-nitrobenzoic acid(89459-38-1)1HNMR
2-Iodo-4-nitrobenzoic acid(89459-38-1)1HNMR
2-Iodo-4-nitrobenzoic acid(89459-38-1)FT-IR
Hazard InformationBack Directory
[Synthesis]

Benzoic acid, 2-iodosyl-4-nitro-

112391-34-1

2-Iodo-4-nitrobenzoic acid

89459-38-1

General procedure for the synthesis of 2-iodo-4-nitrobenzoic acid from the compound (CAS:112391-34-1): solid potassium iodide (55 g, 0.33 mol) was added in one go to a suspension of 2-iodo-4-nitrobenzoic acid I-1a (54.9 g, 0.18 mol) in water (250 mL) and glacial acetic acid (50 mL). Over the next 5-10 min, the solid gradually dissolved and the color of the solution changed from off-white to red. After stirring at 23 °C for 1 h, gaseous sulfur dioxide was passed into the reaction mixture until the red color disappeared and a light green suspension was formed. The solid product was collected by filtration and subsequently co-evaporated with toluene (3 x 250 mL) and finally dried under vacuum to give 2-iodo-4-nitrobenzoic acid I-1b (33 g, 64% yield).

[References]

[1] Collection of Czechoslovak Chemical Communications, 1989, vol. 54, # 4, p. 1012 - 1018
[2] Patent: US2004/122038, 2004, A1. Location in patent: Page 14
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