1-Iodo-3-nitrobenzene , 98% , 645-00-1

CAS NO.：645-00-1

Empirical Formula: C6H4INO2

Molecular Weight: 249.01

MDL number: MFCD00007218

EINECS: 211-427-9

PRODUCT Properties

• Melting point: 36-38 °C (lit.)
• Boiling point: 280 °C (lit.)
• Density: 1.9477
• Flash point: 161 °F
• storage temp.: Refrigerator (+4°C) + Flammables area
• form: powder to lump to clear liquid
• color: Light yellow to Yellow
• Water Solubility: insoluble
• Sensitive: Light Sensitive
• BRN: 1525167
• Stability: Stable. Highly flammable. Incompatible with strong bases, strong oxidizing agents.
• InChI: 1S/C6H4INO2/c7-5-2-1-3-6(4-5)8(9)10/h1-4H
• InChIKey: CBYAZOKPJYBCHE-UHFFFAOYSA-N
• SMILES: [O-][N+](=O)c1cccc(I)c1
• CAS DataBase Reference: 645-00-1(CAS DataBase Reference)
• NIST Chemistry Reference: m-Iodonitrobenzene(645-00-1)
• EPA Substance Registry System: m-Iodonitrobenzene (645-00-1)

Description and Uses

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

• Symbol(GHS): GHS02,GHS07
• Signal word: Danger
• Hazard statements: H228-H302+H312+H332-H315-H319-H335
• Precautionary statements: P210-P280-P301+P312-P302+P352+P312-P304+P340+P312-P305+P351+P338
• target organs: Respiratory system
• PPE: Eyeshields, Gloves, type P3 (EN 143) respirator cartridges
• Hazard Codes: Xn,F,Xi
• Risk Statements: 20/21/22-36/37/38-36-33-11
• Safety Statements: 26-36/37/39-45-16-36
• RIDADR: UN 1325 4.1/PG 2
• WGK Germany: 3
• TSCA: TSCA listed
• HazardClass: 4.1
• HS Code: 29049090
• Storage Class: 4.1B - Flammable solid hazardous materials
• 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
• Limited Quantities: 1.0 Kg (2.2 lbs)
• Excepted Quantities: Max Inner Pack (30g or 30ml) and Max Outer Pack (500g or 500ml)