127663

3-Nitrobenzoyl chloride

98%

• Linear Formula: O₂NC₆H₄COCl
• CAS Number: 121-90-4
• Molecular Weight: 185.56
• Beilstein/REAXYS Number: 777186
• EC Number: 204-505-9
• MDL number: MFCD00007247
• UNSPSC Code: 12352100
• PubChem Substance ID: 24847792
• NACRES: NA.22

Properties

• assay: 98%
• form: solid
• bp: 275-278 °C (lit.)
• mp: 31-34 °C (lit.)
• functional group: acyl chloride; nitro
• SMILES string: [O-][N+](=O)c1cccc(c1)C(Cl)=O
• InChI: 1S/C7H4ClNO3/c8-7(10)5-2-1-3-6(4-5)9(11)12/h1-4H
• InChI key: NXTNASSYJUXJDV-UHFFFAOYSA-N

Description

Application

3-Nitrobenzoyl chloride was used in the synthesis of 3-aminobenzamide. It was also used to synthesize potential carbocyclic minor groove binders.

Safety Information

• pictograms: GHS05,GHS07
• signalword: Danger
• hcodes: H312,H314
• pcodes: P260 - P280 - P301 + P330 + P331 - P303 + P361 + P353 - P304 + P340 + P310 - P305 + P351 + P338
• Hazard Classifications: Acute Tox. 4 Dermal - Eye Dam. 1 - Skin Corr. 1B
• Storage Class: 8A - Combustible corrosive hazardous materials
• wgk_germany: WGK 3
• flash_point_f: >233.6 °F
• flash_point_c: > 112 °C
• ppe: Eyeshields, Faceshields, Gloves, type P3 (EN 143) respirator cartridges