Cas no 98027-17-9 (5-amino-1,2-oxazole-4-carbonitrile)

5-amino-1,2-oxazole-4-carbonitrile structure
98027-17-9 structure
Product Name:5-amino-1,2-oxazole-4-carbonitrile
CAS No:98027-17-9
MF:C4H3N3O
MW:109.086119890213
MDL:MFCD00128284
CID:803251
PubChem ID:312128
Update Time:2025-09-18

5-amino-1,2-oxazole-4-carbonitrile Chemical and Physical Properties

Names and Identifiers

    • 5-Aminoisoxazole-4-carbonitrile
    • 4-Isoxazolecarbonitrile,5-amino-(6CI,9CI)
    • 5-amino-1,2-oxazole-4-carbonitrile
    • 5-amino-4-Isoxazolecarbonitrile
    • 5-Amino-isoxazole-4-carbonitrile
    • 5-amino-4-isoxazolecarbonitrile(SALTDATA: FREE)
    • NSC 220469
    • 4-Isoxazolecarbonitrile, 5-amino-
    • 5-Amino-4-cyanoisoxazole
    • NSC220469
    • PubChem15486
    • 4-cyano-5-aminoisoxazole
    • RSCBB000032
    • HAZRYIRJNFYOLH-UHFFFAOYSA-N
    • RSC000836
    • STK782825
    • SBB002694
    • TRA0052471
    • SY029358
    • ST
    • 5-Amino-4-isoxazolecarbonitrile (ACI)
    • Z56983135
    • FD13120
    • SCHEMBL5158238
    • C4H3N3O
    • MFCD00128284
    • DTXSID10309975
    • AKOS000666220
    • EN300-35474
    • DB-011485
    • AS-48890
    • 98027-17-9
    • ALBB-020153
    • NSC-220469
    • MDL: MFCD00128284
    • Inchi: 1S/C4H3N3O/c5-1-3-2-7-8-4(3)6/h2H,6H2
    • InChI Key: HAZRYIRJNFYOLH-UHFFFAOYSA-N
    • SMILES: N#CC1=C(N)ON=C1

Computed Properties

  • Exact Mass: 109.02800
  • Monoisotopic Mass: 109.028
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 8
  • Rotatable Bond Count: 0
  • Complexity: 127
  • 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
  • Topological Polar Surface Area: 75.8
  • Surface Charge: 0
  • Tautomer Count: 3
  • XLogP3: 0.3

Experimental Properties

  • Density: 1.39±0.1 g/cm3 (20 oC 760 Torr),
  • Boiling Point: 378.1℃ at 760 mmHg
  • Flash Point: 182.5°C
  • Refractive Index: 1.556
  • Solubility: Slightly soluble (13 g/l) (25 o C),
  • PSA: 75.84000
  • LogP: 0.70968

5-amino-1,2-oxazole-4-carbonitrile Security Information

5-amino-1,2-oxazole-4-carbonitrile Customs Data

  • HS CODE:2934999090
  • Customs Data:

    China Customs Code:

    2934999090

    Overview:

    2934999090. Other heterocyclic compounds. VAT:17.0%. Tax refund rate:13.0%. Regulatory conditions:nothing. MFN tariff:6.5%. general tariff:20.0%

    Declaration elements:

    Product Name, component content, use to

    Summary:

    2934999090. other heterocyclic compounds. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

5-amino-1,2-oxazole-4-carbonitrile Pricemore >>

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5-amino-1,2-oxazole-4-carbonitrile Production Method

Production Method 1

Reaction Conditions
1.1 Reagents: Sodium acetate ,  Hydroxyamine hydrochloride Solvents: Ethanol ;  5 h, rt
Reference
Experimental and Theoretical Approach to Novel Polyfunctionalized Isoxazole
Al-Azmi, Amal; Shalaby, Mona A., Current Organic Chemistry (2021, 2021, 25(7), 849-856

5-amino-1,2-oxazole-4-carbonitrile Raw materials

5-amino-1,2-oxazole-4-carbonitrile Preparation Products

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