CAS 645-00-1

1-Iodo-3-nitrobenzene

Description:

1-Iodo-3-nitrobenzene, with the CAS number 645-00-1, is an aromatic compound characterized by the presence of both an iodine atom and a nitro group attached to a benzene ring. The iodine atom is located at the first position, while the nitro group is positioned at the third carbon of the benzene ring, making it a halogenated nitroaromatic compound. This substance typically appears as a yellow to brown solid and is known for its moderate solubility in organic solvents such as ethanol and ether, but limited solubility in water. It exhibits a range of chemical reactivity due to the presence of both the electron-withdrawing nitro group and the electron-donating effects of the aromatic system. 1-Iodo-3-nitrobenzene is often used in organic synthesis, particularly in the preparation of various pharmaceuticals and agrochemicals. Additionally, it is important to handle this compound with care, as it may pose environmental and health risks, including potential toxicity and environmental persistence.

Formula: C₆H₄INO₂

InChI: InChI=1S/C6H4INO2/c7-5-2-1-3-6(4-5)8(9)10/h1-4H

InChI key: InChIKey=CBYAZOKPJYBCHE-UHFFFAOYSA-N

SMILES: N(=O)(=O)C1=CC(I)=CC=C1

Synonyms:

• 3-Iodo-1-nitrobenzene
• 3-Iodonitrobenzene
• 3-Nitro-1-iodobenzene
• 3-Nitroiodobenzene
• 3-Nitrophenyl iodide
• Benzene, 1-iodo-3-nitro-
• NSC 3538
• m-Iodonitrobenzene
• m-Nitroiodobenzene
• m-Nitrophenyl iodide
• 1-Iodo-3-nitrobenzene

1-Iodo-3-nitrobenzene

CAS: 645-00-1

Formula: C₆H₄INO₂

Purity: >98.0%(GC)

Color and Shape: Light yellow to Yellow powder to lump to clear liquid

Molecular weight: 249.01

Ref: 3B-I0063

1-Iodo-3-nitrobenzene, 99%

CAS: 645-00-1

This Thermo Scientific Chemicals brand product was originally part of the Alfa Aesar product portfolio. Some documentation and label information may refer to the legacy brand. The original Alfa Aesar product / item code or SKU reference has not changed as a part of the brand transition to Thermo Sci

Formula: C₆H₄INO₂

Purity: 99%

Color and Shape: Crystals or powder or crystalline powder or fused solid, White to pale cream to cream to brown

Molecular weight: 249.01

Ref: 02-B21605

1-Iodo-3-nitrobenzene

CAS: 645-00-1

Formula: C₆H₄INO₂

Molecular weight: 249.01

Ref: 7W-GK2351

3-Iodonitrobenzene

CAS: 645-00-1

3-Iodonitrobenzene

Formula: C₆H₄INO₂

Purity: 97%

Color and Shape: clear. dark yellow liquid

Molecular weight: 249.01g/mol

Ref: 54-OR4539

1-Iodo-3-nitrobenzene

CAS: 645-00-1

Formula: C₆H₄INO₂

Purity: 99.0%

Color and Shape: Solid

Molecular weight: 249.007

Ref: 10-F002716

1-Iodo-3-nitrobenzene

Controlled Product

CAS: 645-00-1

Applications 1-Iodo-3-nitrobenzene is a reactant used int he synthesis of Vismodegib (V674700), an, antineoplastic drug that targets the Hedgehog (Hh) pathway. Inhibition of the Hh signaling may be effective in the treatment and prevention of many types of human cancers.
Not a dangerous good if item is equal to or less than 1g/ml and there is less than 100g/ml in the package
References Cao, M., et. al.: Chem. Papers, 68, 1408 (2014); Gupta, S. et al.: Ther. Advances in Med. Oncology 2,237(2010)

Formula: C₆H₄INO₂

Color and Shape: Neat

Molecular weight: 249.01

Ref: TR-I715615