Cas no 221638-74-0 (2-(Chloromethyl)-6-nitro-1,3-benzoxazole)

2-(Chloromethyl)-6-nitro-1,3-benzoxazole is a heterocyclic organic compound featuring a benzoxazole core substituted with a chloromethyl group at the 2-position and a nitro group at the 6-position. This structure imparts reactivity suitable for further functionalization, making it a valuable intermediate in synthetic organic chemistry, particularly in pharmaceutical and agrochemical applications. The chloromethyl group enables nucleophilic substitution reactions, while the nitro group offers opportunities for reduction or electrophilic aromatic substitution. Its stability under controlled conditions and well-defined reactivity profile enhance its utility in multi-step synthesis. The compound is typically handled under inert conditions due to its sensitivity to moisture and heat.
2-(Chloromethyl)-6-nitro-1,3-benzoxazole structure
221638-74-0 structure
Product Name:2-(Chloromethyl)-6-nitro-1,3-benzoxazole
CAS No:221638-74-0
MF:C8H5ClN2O3
MW:212.58990073204
MDL:MFCD00775454
CID:1069313
PubChem ID:2764190
Update Time:2025-06-10

2-(Chloromethyl)-6-nitro-1,3-benzoxazole Chemical and Physical Properties

Names and Identifiers

    • 2-(Chloromethyl)-6-nitrobenzo[d]oxazole
    • 2-(Chloromethyl)-6-nitro-1,3-benzoxazole
    • 2-(chloromethyl)-6-nitro-Benzoxazole
    • 2-(chloromethyl)-6-nitrobenzoxazole
    • SCHEMBL4268370
    • DTXSID00377345
    • AKOS005070921
    • SY130178
    • WIA63874
    • 221638-74-0
    • MFCD00775454
    • 6X-0703
    • A911075
    • 2-chloromethyl-6-nitrobenzoxazole
    • AB07079
    • DB-301961
    • LPTHKRDEKSFWAO-UHFFFAOYSA-N
    • AC5637
    • MDL： MFCD00775454
    • Inchi： 1S/C8H5ClN2O3/c9-4-8-10-6-2-1-5(11(12)13)3-7(6)14-8/h1-3H,4H2
    • InChI Key： LPTHKRDEKSFWAO-UHFFFAOYSA-N
    • SMILES： ClCC1=NC2C=CC(=CC=2O1)[N+](=O)[O-]

Computed Properties

  • Exact Mass: 211.9988697g/mol
  • Monoisotopic Mass: 211.9988697g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 14
  • Rotatable Bond Count: 2
  • Complexity: 233
  • 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
  • XLogP3: 2
  • Topological Polar Surface Area: 71.8?2

Experimental Properties

  • Melting Point: 69-70°C

2-(Chloromethyl)-6-nitro-1,3-benzoxazole Security Information

  • HazardClass：IRRITANT
  • Storage Condition：Sealed in dry,2-8°C

2-(Chloromethyl)-6-nitro-1,3-benzoxazole Pricemore >>

Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
Alichem
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2-(Chloromethyl)-6-nitrobenzo[d]oxazole
 221638-74-0 98%
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Alichem
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 221638-74-0 98%
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TRC
C598308-50mg
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 $ 50.00 2022-06-06
TRC
C598308-100mg
2-(Chloromethyl)-6-nitro-1,3-benzoxazole
 221638-74-0
100mg
 $ 65.00 2022-06-06
TRC
C598308-500mg
2-(Chloromethyl)-6-nitro-1,3-benzoxazole
 221638-74-0
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 $ 185.00 2022-06-06
Apollo Scientific
OR110716-250mg
2-(Chloromethyl)-6-nitro-1,3-benzoxazole
 221638-74-0 94%
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 ￡68.00 2025-02-19
Apollo Scientific
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2-(Chloromethyl)-6-nitro-1,3-benzoxazole
 221638-74-0 94%
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Apollo Scientific
OR110716-5g
2-(Chloromethyl)-6-nitro-1,3-benzoxazole
 221638-74-0 94%
5g
 ￡520.00 2025-02-19
Chemenu
CM309288-1g
2-(Chloromethyl)-6-nitrobenzo[d]oxazole
 221638-74-0 95%
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Chemenu
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 221638-74-0 95%
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