Cas no 4857-42-5 (3-Methylisoxazole-5-carboxylic acid)

3-Methylisoxazole-5-carboxylic acid structure
4857-42-5 structure
Product Name:3-Methylisoxazole-5-carboxylic acid
CAS No:4857-42-5
MF:C5H5NO3
MW:127.098101377487
MDL:MFCD00464222
CID:45373
PubChem ID:354334557
Update Time:2025-04-18

3-Methylisoxazole-5-carboxylic acid Chemical and Physical Properties

Names and Identifiers

    • 3-Methylisoxazole-5-carboxylic acid
    • 3-METHYL-5-ISOXAZOLECARBOXYLIC ACID
    • 3-Methyl-5-isoxazolylcarboxylic acid
    • 3-methyl-1,2-oxazole-5-carboxylic acid
    • 5-Isoxazolecarboxylic acid, 3-methyl-
    • 3-Methyl-isoxazole-5-carboxylic acid
    • 5-Isoxazolecarboxylicacid, 3-methyl-
    • 5-Carboxy-3-methylisoxazole
    • BAS 10142371
    • HXIYCKAAQPHZBM-UHFFFAOYSA-N
    • 3-METHYLISOXAZOLE-5-CARBOXYLICACID
    • 3-methyl-5-carboxyisoxazole
    • ARONIS24519
    • 3-methyl-5-carboxyl-isoxazole
    • HM
    • NS00045163
    • M2953
    • F2124-0612
    • CL3463
    • SY033484
    • AS-5178
    • DS-0689
    • AC-23153
    • EN300-13477
    • Z90660974
    • SCHEMBL222184
    • AKOS000302671
    • CHEMBL393428
    • 4857-42-5
    • BB 0250450
    • AM20100200
    • MFCD00464222
    • CS-W005033
    • FT-0647857
    • J-512915
    • HMS1695I02
    • BDBM50211361
    • Compound 4a [PMID: 17452318]
    • STK341643
    • GTPL13557
    • ALBB-009979
    • BBL016103
    • MDL： MFCD00464222
    • Inchi： 1S/C5H5NO3/c1-3-2-4(5(7)8)9-6-3/h2H,1H3,(H,7,8)
    • InChI Key： HXIYCKAAQPHZBM-UHFFFAOYSA-N
    • SMILES： O1C(C(=O)O)=CC(C)=N1

Computed Properties

  • Exact Mass: 127.02700
  • Monoisotopic Mass: 127.027
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 9
  • Rotatable Bond Count: 1
  • Complexity: 125
  • 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: 63.3
  • XLogP3: 0.6

Experimental Properties

  • Color/Form: White to Yellow Solid
  • Density: 1.348
  • Melting Point: 204-214°C
  • Boiling Point: 312.5°Cat760mmHg
  • Flash Point: 142.8°C
  • PSA: 63.33000
  • LogP: 0.68120

3-Methylisoxazole-5-carboxylic acid Security Information

3-Methylisoxazole-5-carboxylic acid 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%

3-Methylisoxazole-5-carboxylic acid Pricemore >>

Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
Fluorochem
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3-Methyl-isoxazole-5-carboxylic acid
 4857-42-5 95%
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AstaTech
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AstaTech
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abcr
AB468147-1 g
3-Methylisoxazole-5-carboxylic acid, min. 95%; .
 4857-42-5
1g
 €100.50 2023-06-15
abcr
AB468147-5 g
3-Methylisoxazole-5-carboxylic acid, min. 95%; .
 4857-42-5
5g
 €191.10 2023-06-15
abcr
AB468147-10 g
3-Methylisoxazole-5-carboxylic acid, min. 95%; .
 4857-42-5
10g
 €252.10 2023-06-15
abcr
AB468147-25 g
3-Methylisoxazole-5-carboxylic acid, min. 95%; .
 4857-42-5
25g
 €452.00 2023-06-15

3-Methylisoxazole-5-carboxylic acid Related Literature

  • 1. Substituent effects in isoxazoles: identification of 4-substituted isoxazoles as Michael acceptors
    Connie K. Y. Lee,Christopher J. Easton,Mariana Gebara-Coghlan,Leo Radom,Anthony P. Scott,Gregory W. Simpson,Anthony C. Willis J. Chem. Soc. Perkin Trans. 2 2002 2031

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