Cas no 21395-61-9 ((Z)-4-(3,4-Dichloroanilino)-4-oxobut-2-enoic Acid)

(Z)-4-(3,4-Dichloroanilino)-4-oxobut-2-enoic Acid structure
21395-61-9 structure
Product Name:(Z)-4-(3,4-Dichloroanilino)-4-oxobut-2-enoic Acid
CAS No:21395-61-9
MF:C10H7Cl2NO3
MW:260.073480844498
MDL:MFCD00020466
CID:88267
PubChem ID:1559451
Update Time:2025-04-18

(Z)-4-(3,4-Dichloroanilino)-4-oxobut-2-enoic Acid Chemical and Physical Properties

Names and Identifiers

    • N-(3,4-Dichlorophenyl)maleamic acid
    • CBDivE_013993; N-(3,4-dichloro-phenyl)-maleamic acid; MCULE-5823849588; AG-E-56714; IFLab1_004909; SureCN4786327; (Z)-3-(3,4-dichloro-phenylcarbamoyl)-acrylic acid; AC1L7QUO; Maleinsaeure-mono-< 3,4-dichlor-anilid> ; 3-(3,4-Dichloro-phenylcarbamoyl)-acrylic acid; CTK4E6650;
    • (Z)-4-(3,4-dichloroanilino)-4-oxobut-2-enoic acid
    • SCHEMBL4786318
    • CHEMBL1078999
    • HMS1425P03
    • 21395-61-9
    • MFCD00020466
    • SR-01000201572
    • SR-01000201572-1
    • F1097-0013
    • 4-((3,4-Dichlorophenyl)amino)-4-oxobut-2-enoic acid
    • AS-76020
    • (Z)-4-((3,4-dichlorophenyl)amino)-4-oxobut-2-enoic acid
    • CS-0363224
    • AKOS000272743
    • IDI1_010664
    • (Z)-4-((3,4-dichlorophenyl)amino)-4-oxobut-2-enoicacid
    • (Z)-4-(3,4-Dichloroanilino)-4-oxobut-2-enoic Acid
    • MDL: MFCD00020466
    • Inchi: 1S/C10H7Cl2NO3/c11-7-2-1-6(5-8(7)12)13-9(14)3-4-10(15)16/h1-5H,(H,13,14)(H,15,16)/b4-3-
    • InChI Key: YMYKNYVBUCMJOG-ARJAWSKDSA-N
    • SMILES: ClC1=C(C=CC(=C1)NC(/C=C\C(=O)O)=O)Cl

Computed Properties

  • Exact Mass: 258.98041
  • Monoisotopic Mass: 258.98
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 16
  • Rotatable Bond Count: 4
  • Complexity: 306
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 1
  • Surface Charge: 0
  • Tautomer Count: 2
  • XLogP3: nothing
  • Topological Polar Surface Area: 66.4A^2

Experimental Properties

  • Color/Form: {"from":"zh","to":"en","trans_result":[{"src":"\u672a\u786e\u5b9a","dst":"Not determined"},{"src":"2.\u00a0\u5bc6\u5ea6\uff08g\/mL,25\/4\u2103\uff09","dst":"2. density (g\/ml, 25\/4 \u2103)"}]}
  • Density: 1.551
  • Melting Point: 205℃
  • Boiling Point: 488.1°C at 760 mmHg
  • Flash Point: 249°C
  • Refractive Index: 1.65
  • PSA: 66.4
  • LogP: 2.64570

(Z)-4-(3,4-Dichloroanilino)-4-oxobut-2-enoic Acid Security Information

  • Risk Phrases:R36/37/38

(Z)-4-(3,4-Dichloroanilino)-4-oxobut-2-enoic Acid Pricemore >>

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