415774

5′-Chloro-2′-hydroxy-3′-nitroacetophenone

99%

• Linear Formula: ClC₆H₂(OH)(NO₂)COCH₃
• CAS Number: 84942-40-5
• Molecular Weight: 215.59
• MDL number: MFCD00191921
• UNSPSC Code: 12352100
• PubChem Substance ID: 24866033
• NACRES: NA.22

Properties

• Assay: 99%
• mp: 132-135 °C (lit.)
• functional group: chloro; ketone; nitro
• SMILES string: CC(=O)c1cc(Cl)cc(c1O)[N+]([O-])=O
• InChI: 1S/C8H6ClNO4/c1-4(11)6-2-5(9)3-7(8(6)12)10(13)14/h2-3,12H,1H3
• InChI key: IUNBIQBAYUBIFD-UHFFFAOYSA-N

Description

General description

5′-Chloro-2′-hydroxy-3′-nitroacetophenone (5-chloro-3-nitro-2-hydroxyacetophenone) is a nitro derivative of ortho-hydroxy aryl ketone. Its crystal structure has been studied by X-ray diffraction. It forms complex with 2-aminobenzoic acid (anthranilic acid), in which the nitro group is turned by approximately 40°C.

Application

5′-Chloro-2′-hydroxy-3′-nitroacetophenone may be used for the synthesis of 6-chloro-8-nitro-4-oxo-4H-chromene-3-carbaldehyde.

Safety Information

• Pictograms: GHS07
• Signal Word: Warning
• Hazard Statements: H315,H319,H335
• Precautionary Statements: P261 - P264 - P271 - P280 - P302 + P352 - P305 + P351 + P338
• Hazard Classifications: Eye Irrit. 2 - Skin Irrit. 2 - STOT SE 3
• Target Organs: Respiratory system
• Storage Class Code: 11 - Combustible Solids
• WGK: WGK 3
• Flash Point(F): Not applicable
• Flash Point(C): Not applicable
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves