Cas no 35261-01-9 (5-Amino-3-methylisoxazole-4-carbonitrile)

5-Amino-3-methylisoxazole-4-carbonitrile is a heterocyclic compound featuring an isoxazole core substituted with an amino group at the 5-position, a methyl group at the 3-position, and a nitrile functionality at the 4-position. This structure imparts versatility as a key intermediate in organic synthesis, particularly in the preparation of pharmaceuticals, agrochemicals, and specialty chemicals. The presence of reactive functional groups (amino and nitrile) allows for further derivatization, enabling the construction of more complex molecular frameworks. Its stability under standard conditions and compatibility with common synthetic methodologies make it a practical choice for research and industrial applications. The compound is typically handled under controlled conditions due to its potential reactivity.
5-Amino-3-methylisoxazole-4-carbonitrile structure
35261-01-9 structure
Product Name:5-Amino-3-methylisoxazole-4-carbonitrile
CAS No:35261-01-9
MF:C5H5N3O
MW:123.112700223923
MDL:MFCD00027378
CID:54401
PubChem ID:305590
Update Time:2025-06-06

5-Amino-3-methylisoxazole-4-carbonitrile Chemical and Physical Properties

Names and Identifiers

    • 5-Amino-3-methylisoxazole-4-carbonitrile
    • 5-Amino-3-methyl-4-isoxazolecarbonitrile
    • 5-amino-3-methyl-1,2-oxazole-4-carbonitrile
    • AG-826/25038002
    • SY025149
    • NSC-202613
    • 35261-01-9
    • AM803760
    • AKOS001060933
    • SCHEMBL2334751
    • EN300-152921
    • MFCD00027378
    • A822698
    • Z56987408
    • Isoxazole-4-carbonitrile, 5-amino-3-methyl-
    • 3P-382S
    • 5-Amino-3-methyl-isoxazole-4-carbonitrile
    • DTXSID60308170
    • HMS1630A10
    • CS-0036487
    • NSC202613
    • FT-0639248
    • J-516717
    • DTXCID40259297
    • STK772138
    • DB-048763
    • MDL： MFCD00027378
    • Inchi： 1S/C5H5N3O/c1-3-4(2-6)5(7)9-8-3/h7H2,1H3
    • InChI Key： HWUGKLXAHRZZPN-UHFFFAOYSA-N
    • SMILES： O1C(=C(C#N)C(C)=N1)N

Computed Properties

  • Exact Mass: 123.04300
  • Monoisotopic Mass: 123.043
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 9
  • Rotatable Bond Count: 0
  • Complexity: 150
  • 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: 75.8A^2
  • XLogP3: 0.7

Experimental Properties

  • Density: 1.3
  • Melting Point: 227-230°C
  • Boiling Point: 347.4 ℃ at 760 mmHg
  • Flash Point: 163.9 °C
  • Refractive Index: 1.544
  • PSA: 75.84000
  • LogP: 1.01808

5-Amino-3-methylisoxazole-4-carbonitrile Security Information

  • Hazard Statement： Irritant
  • Hazardous Material transportation number：UN 3439
  • Hazard Category Code： 36/37/38-22
  • Safety Instruction： S26
  • Hazardous Material Identification： Xi
  • HazardClass：IRRITANT
  • Risk Phrases：R36/37/38

5-Amino-3-methylisoxazole-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-3-methylisoxazole-4-carbonitrile Pricemore >>

Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
Fluorochem
068635-1g
5-Amino-3-methylisoxazole-4-carbonitrile
 35261-01-9 97%
1g
 ￡63.00 2022-03-01
Fluorochem
068635-5g
5-Amino-3-methylisoxazole-4-carbonitrile
 35261-01-9 97%
5g
 ￡188.00 2022-03-01
Fluorochem
068635-10g
5-Amino-3-methylisoxazole-4-carbonitrile
 35261-01-9 97%
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 ￡293.00 2022-03-01
Fluorochem
068635-25g
5-Amino-3-methylisoxazole-4-carbonitrile
 35261-01-9 97%
25g
 ￡640.00 2022-03-01
SHANG HAI XIAN DING Biotechnology Co., Ltd.
044192-500mg
5-Amino-3-methyl-4-isoxazolecarbonitrile
 35261-01-9 >95%
500mg
 697.0CNY 2021-08-05
Chemenu
CM190873-10g
5-Amino-3-methyl-4-isoxazolecarbonitrile
 35261-01-9 95%
10g
 $353 2021-08-05
Chemenu
CM190873-25g
5-Amino-3-methyl-4-isoxazolecarbonitrile
 35261-01-9 95%
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 $732 2021-08-05
TRC
A614583-50mg
5-Amino-3-methylisoxazole-4-carbonitrile
 35261-01-9
50mg
 $ 50.00 2022-06-08
TRC
A614583-100mg
5-Amino-3-methylisoxazole-4-carbonitrile
 35261-01-9
100mg
 $ 65.00 2022-06-08
TRC
A614583-500mg
5-Amino-3-methylisoxazole-4-carbonitrile
 35261-01-9
500mg
 $ 160.00 2022-06-08

5-Amino-3-methylisoxazole-4-carbonitrile Production Method

5-Amino-3-methylisoxazole-4-carbonitrile Related Literature

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