Cas no 1136-45-4 (5-Methyl-3-phenyl-4-isoxazolecarboxylic Acid)

5-Methyl-3-phenyl-4-isoxazolecarboxylic Acid structure
1136-45-4 structure
Product Name:5-Methyl-3-phenyl-4-isoxazolecarboxylic Acid
CAS No:1136-45-4
MF:C11H9NO3
MW:203.194062948227
MDL:MFCD00003153
CID:40900
PubChem ID:14343
Update Time:2025-04-18

5-Methyl-3-phenyl-4-isoxazolecarboxylic Acid Chemical and Physical Properties

Names and Identifiers

    • 5-Methyl-3-phenylisoxazole-4-carboxylic acid
    • PMI-acid
    • 5-METHYL-3-PHENYLISOXAZOLE-4-CARBOXYLIC
    • 5-Methyl-3-phenyl-4-isoxazolecarboxylic acid
    • 5-methyl-3-phenylisoxazole-4-carboxylic acid(SALTDATA: FREE)
    • 3-Phenyl-5-methylisoxazole-4-carboxylicacid
    • 4-Carboxy-5-methyl-3-phenylisoxazole
    • NSC 76870
    • oxacillin EP impurity C
    • Oxacillin Impurity 8
    • AKOS000120854
    • A2312
    • 5-Methyl-3-phenylisoxazole-4-carboxylic acid; Oxacillin Related Compound C; Oxacillin Sodium Monohydrate Impurity C; Oxacillin Impurity C
    • 5-Methyl-3-phenyl-4-isooxazolic acid
    • 1136-45-4
    • ZL8HD4RP5B
    • AQ-360/40723605
    • UPCMLD00X1136-45-4:001
    • HMS1631N05
    • UPCMLD00X1136-45-4:002
    • Z104482458
    • NS00023693
    • NSC-76870
    • 3-Phenyl-5-methylisoxazole-4-carboxylic acid
    • 3-Phenyl-5-methylisoxazol-4-carbonsaeure
    • BRN 0164939
    • SCHEMBL316093
    • WLN: T5NOJ C1 DVQ ER
    • CCG-142813
    • 8P-396S
    • CBDivE_008536
    • 5-methyl-3-phenyl-1,2-oxazole-4-carboxylic acid
    • Pmic acid
    • NSC76870
    • 3-Phenyl-5-methylisoxazol-4-carbonsaeure [German]
    • HMS3447E18
    • 5-Methyl-3-phenylisooxazole-4-carboxylic acid
    • W-108615
    • SDCCGMLS-0065903.P001
    • 3-phenyl-5-methyl-Isoxazole-4-carboxylic acid
    • 4-27-00-04087 (Beilstein Handbook Reference)
    • 5-methyl-3-phenylisoxazole-4-carboxylicacid
    • CS-0005891
    • Q27463383
    • ISOXAZOLE-4-CARBOXYLIC ACID, 5-METHYL-3-PHENYL-
    • MFCD00003153
    • 5-Methyl-3-phenyl-isoxazole-4-carboxylic acid
    • UNII-ZL8HD4RP5B
    • FT-0620628
    • 3-phenyl-5-methyl-4-isoxazolecarboxylic acid
    • EN300-20783
    • 5-methyl-3-phenyl-4-isoxazolecarboxylicacid
    • OXACILLIN SODIUM MONOHYDRATE IMPURITY C [EP IMPURITY]
    • 4-Isoxazolecarboxylic acid, 5-methyl-3-phenyl-
    • DTXSID3061556
    • MOK
    • 5-Methyl-3-phenylisoxazole-4-carboxylic acid, 99%
    • 5-methyl-3-phenylisoxazole-4-carboxlic acid
    • 5-METHYL-3-PHENYL-4-ISOXAZOLIC ACID
    • 3-Phenyl-5-methylisoxazol-4-carbonsaeure [German]
    • EINECS 214-497-9
    • Cambridge id 5229752
    • STK177355
    • BBL005244
    • DTXCID5033331
    • OXACILLIN SODIUM MONOHYDRATE IMPURITY C (EP IMPURITY)
    • DB-041181
    • 214-497-9
    • 5-Methyl-3-phenyl-4-isoxazolecarboxylic Acid
    • MDL： MFCD00003153
    • Inchi： 1S/C11H9NO3/c1-7-9(11(13)14)10(12-15-7)8-5-3-2-4-6-8/h2-6H,1H3,(H,13,14)
    • InChI Key： PENHKTNQUJMHIR-UHFFFAOYSA-N
    • SMILES： O1C(C)=C(C(=O)O)C(C2C=CC=CC=2)=N1
    • BRN： 164939

Computed Properties

  • Exact Mass: 203.05800
  • Monoisotopic Mass: 203.058
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 15
  • Rotatable Bond Count: 2
  • Complexity: 238
  • 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: 2
  • Topological Polar Surface Area: 63.3A^2

Experimental Properties

  • Color/Form: Not determined
  • Density: 1.2621 (rough estimate)
  • Melting Point: 192-194?°C (lit.)
  • Boiling Point: 341.49°C (rough estimate)
  • Flash Point: 174.5 °C
  • Refractive Index: 1.4950 (estimate)
  • PSA: 63.33000
  • LogP: 2.34820
  • Solubility: Water soluble

5-Methyl-3-phenyl-4-isoxazolecarboxylic Acid Security Information

  • Signal Word：Warning
  • Hazard Statement： H302-H312
  • Warning Statement： P280
  • Hazardous Material transportation number：NONH for all modes of transport
  • WGK Germany：3
  • Hazard Category Code： R22: harmful if swallowed.
  • Safety Instruction： S24/25-S36/37-S22
  • RTECS：NY2750000
  • Hazardous Material Identification： Xi
  • Safety Term：S24/25
  • Risk Phrases：R22
  • HazardClass：IRRITANT
  • TSCA：Yes
  • Storage Condition：Keep in dark place,Sealed in dry,Room Temperature

5-Methyl-3-phenyl-4-isoxazolecarboxylic 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%

5-Methyl-3-phenyl-4-isoxazolecarboxylic Acid Pricemore >>

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5-Methyl-3-phenyl-4-isoxazolecarboxylic Acid Related Literature

  • 1. 1113. Derivatives of 6-aminopenicillanic acid. Part VII. Further 3,5-disubstituted isoxazole-4-carboxylic acid derivatives
    F. P. Doyle,J. C. Hanson,A. A. W. Long,J. H. C. Nayler J. Chem. Soc. 1963 5845
  • 2. 1112. Derivatives of 6-aminopenicillanic acid. Part VI. Penicillins from 3- and 5-phenylisoxazole-4-carboxylic acids and their alkyl and halogen derivatives
    F. P. Doyle,J. C. Hanson,A. A. W. Long,J. H. C. Nayler,E. R. Stove J. Chem. Soc. 1963 5838
  • 3. Coordinate-polymerized organic ligand towards an efficient catalyst for selective hydrocarbon oxidation
    Kaixuan Li,Hailiang Hu,Beibei Liu,Xiaoling Lin,Hui Huang,Yang Liu,Zhenhui Kang RSC Adv. 2016 6 63940

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