Cas no 23598-72-3 (3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carboxylic acid)

3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carboxylic acid structure
23598-72-3 structure
Product Name:3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carboxylic acid
CAS No:23598-72-3
MF:C11H8ClNO3
MW:237.639122009277
MDL:MFCD00020813
CID:52331
PubChem ID:90203
Update Time:2025-04-18

3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carboxylic acid Chemical and Physical Properties

Names and Identifiers

    • 5-Methyl-3-(2'-chlorophenyl)-4-isoxazolecarboxylic acid
    • 3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carboxylic acid
    • 3-(2-Chloro-phenyl)-5-methyl-isoxazole-4-carboxylic acid
    • 3-(2-Chlorophenyl)-5-methylisoxazole-4-carboxylic acid
    • NSC 81238
    • 4-Isoxazolecarboxylicacid, 3-(o-chlorophenyl)-5-methyl- (7CI,8CI)
    • 3-(2-Chlorophenyl)-5-methyl-4-isoxazolecarboxylicacid
    • 3-(2-Chlorophenyl)-5-methyl-4-isoxazolecarboxylic acid
    • 4-Isoxazolecarboxylic acid, 3-(2-chlorophenyl)-5-methyl-
    • EINECS 245-770-0
    • cmic acid
    • NSC-81238
    • EN300-18171
    • CLOXACILLIN SODIUM IMPURITY D [EP IMPURITY]
    • 3-(2-Chlorophenyl)-5-methyl-isoxazole-4-carboxylic acid
    • UVEPOHNXGXVOJE-UHFFFAOYSA-N
    • W-110574
    • 3-(2-Chlorophenyl)-5-methylisoxazole-4-carboxylic acid (CMIC acid)
    • FT-0613546
    • SCHEMBL459354
    • B7ISJ0S9T5
    • AB00088580-01
    • DTXSID4066913
    • 3-(2-chlorophenyl)-5-methyl-1, 2-oxazole-4-carboxylic acid
    • 23598-72-3
    • TS-03330
    • MFCD00020813
    • 4-Isoxazolecarboxylic acid, 3-(o-chlorophenyl)-5-methyl-
    • AKOS000120474
    • NSC81238
    • F3351-0438
    • 3-(o-chlorophenyl)-5-methylisoxazole-4-carboxylic acid
    • NS00027458
    • Cloxacillin Sodium Imp. D (EP); Cloxacillin Imp. D (EP); Cloxacillin USP Related Compound D; Cloxacillin USP RC D; 3-(2-Chlorophenyl)-5-methylisoxazole-4-carboxylic Acid
    • CS-0085276
    • 3-(2-Chlorophenyl) -5-methyl-Isoxazole-4-carboxylic acid
    • 3-o-chlorophenyl-5-methylisoxazole-4-carboxylic acid
    • A816791
    • 3-(2-chlorophenyl)-5-methylisoxazol-4-carboxylic acid
    • VU0023400-2
    • Z57254347
    • Cambridge id 5549841
    • Cloxacillin Sodium Imp. D (EP):
    • STK325639
    • DB-046196
    • MDL： MFCD00020813
    • Inchi： 1S/C11H8ClNO3/c1-6-9(11(14)15)10(13-16-6)7-4-2-3-5-8(7)12/h2-5H,1H3,(H,14,15)
    • InChI Key： UVEPOHNXGXVOJE-UHFFFAOYSA-N
    • SMILES： ClC1C=CC=CC=1C1C(C(=O)O)=C(C)ON=1
    • BRN： 791928

Computed Properties

  • Exact Mass: 237.01934
  • Monoisotopic Mass: 237.019
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 16
  • Rotatable Bond Count: 2
  • Complexity: 274
  • 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: 2.6
  • Topological Polar Surface Area: 63.3A^2

Experimental Properties

  • Color/Form: Cream powder
  • Density: 1.385
  • Melting Point: 186-189 oC
  • Boiling Point: 374.5 °C at 760 mmHg
  • Flash Point: 180.3 °C
  • Refractive Index: 1.59
  • Solubility: DMSO (Slightly), Ethyl Acetate (Slightly)
  • PSA: 63.33
  • LogP: 3.00160
  • Solubility: Not determined

3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carboxylic acid Security Information

  • Signal Word：warning
  • Hazard Statement： Irritant
  • Warning Statement： P264+P280+P305+P351+P338+P337+P313
  • Hazardous Material transportation number：NONH for all modes of transport
  • Hazard Category Code： R22;R36/37/38
  • Safety Instruction： S22;S26;S36/37/39
  • Hazardous Material Identification： Xn
  • HazardClass：IRRITANT
  • TSCA：Yes
  • Risk Phrases：R22;R36/37/38
  • Safety Term：S22;S26;S36/37/39
  • Storage Condition：storage at -4℃ (1-2weeks), longer storage period at -20℃ (1-2years)

3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carboxylic acid Pricemore >>

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