Cas no 5568-33-2 (2-chloro-4-nitrobenzaldehyde)

2-Chloro-4-nitrobenzaldehyde (CAS 938-30-3) is a nitro-substituted benzaldehyde derivative with a chlorine substituent at the ortho position relative to the formyl group. This compound serves as a versatile intermediate in organic synthesis, particularly in the preparation of pharmaceuticals, agrochemicals, and specialty chemicals. Its electron-withdrawing nitro and chloro groups enhance reactivity in nucleophilic aromatic substitution and condensation reactions. The crystalline solid exhibits high purity and stability under standard storage conditions, making it suitable for precise synthetic applications. Its distinct substitution pattern allows for selective functionalization, enabling the synthesis of complex heterocyclic and fine chemical structures. The compound is typically handled under controlled conditions due to its potential irritant properties.
2-chloro-4-nitrobenzaldehyde structure
2-chloro-4-nitrobenzaldehyde structure
Product Name:2-chloro-4-nitrobenzaldehyde
CAS No:5568-33-2
MF:C7H4ClNO3
MW:185.564560890198
CID:367470
PubChem ID:278166
Update Time:2025-06-06

2-chloro-4-nitrobenzaldehyde Chemical and Physical Properties

Names and Identifiers

    • Benzaldehyde,2-chloro-4-nitro-
    • 2-chloro-4-nitrobenzaldehyde
    • 2-Chlor-4-nitro-benzaldehyd
    • 2-Chlor-5-nitrobenzaldehyd
    • 2-chloro-4-nitro-benzaldehyde
    • Benzaldehyde,2-chloro-4-nitro
    • DTXSID40299012
    • CS-0380529
    • NSC127469
    • D78652
    • NSC-127469
    • Benzaldehyde, 2-chloro-4-nitro-
    • MFCD09842446
    • 5568-33-2
    • AMY41930
    • GVBXZIANHMNKAK-UHFFFAOYSA-N
    • BS-28692
    • SCHEMBL1195413
    • AKOS006280814
    • EN300-76017
    • Z1184908013
    • DTXCID00250149
    • DB-355675
    • XH1280
    • MDL: MFCD09842446
    • Inchi: 1S/C7H4ClNO3/c8-7-3-6(9(11)12)2-1-5(7)4-10/h1-4H
    • InChI Key: GVBXZIANHMNKAK-UHFFFAOYSA-N
    • SMILES: ClC1C=C(C=CC=1C=O)[N+](=O)[O-]

Computed Properties

  • Exact Mass: 184.98800
  • Monoisotopic Mass: 184.988
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 12
  • Rotatable Bond Count: 1
  • Complexity: 192
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Surface Charge: 0
  • Tautomer Count: nothing
  • XLogP3: nothing
  • Topological Polar Surface Area: 62.9A^2

Experimental Properties

  • Density: 1.485
  • Boiling Point: 312.4°Cat760mmHg
  • Flash Point: 142.7°C
  • Refractive Index: 1.63
  • PSA: 62.89000
  • LogP: 2.58390

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