144495

1-Iodo-3-nitrobenzene

99%

• Linear Formula: IC₆H₄NO₂
• CAS Number: 645-00-1
• Molecular Weight: 249.01
• EC Number: 211-427-9
• MDL number: MFCD00007218
• UNSPSC Code: 12352100
• PubChem Substance ID: 24848660
• NACRES: NA.22

Properties

• Quality Level: 100
• assay: 99%
• form: solid
• bp: 280 °C (lit.)
• mp: 36-38 °C (lit.)
• functional group: iodo; nitro
• SMILES string: [O-][N+](=O)c1cccc(I)c1
• InChI: 1S/C6H4INO2/c7-5-2-1-3-6(4-5)8(9)10/h1-4H
• InChI key: CBYAZOKPJYBCHE-UHFFFAOYSA-N

Description

Application

1-Iodo-3-nitrobenzene was used in the synthesis of 5-substituted pyrrolo[3,2-b]pyridine amide and 3′-nitro-4-methylthiobiphenyl. It was used in palladium(0) catalyzed cross-coupling reaction between heteroarylzinc iodide and unsaturated iodide.

Safety Information

• pictograms: GHS02,GHS07
• signalword: Danger
• hcodes: H228,H302 + H312 + H332,H315,H319,H335
• pcodes: P210 - P280 - P301 + P312 - P302 + P352 + P312 - P304 + P340 + P312 - P305 + P351 + P338
• Hazard Classifications: Acute Tox. 4 Dermal - Acute Tox. 4 Inhalation - Acute Tox. 4 Oral - Eye Irrit. 2 - Flam. Sol. 1 - Skin Irrit. 2 - STOT SE 3
• target_organs: Respiratory system
• Storage Class: 4.1B - Flammable solid hazardous materials
• wgk_germany: WGK 3
• flash_point_f: Not applicable
• flash_point_c: Not applicable
• ppe: Eyeshields, Gloves, type P3 (EN 143) respirator cartridges