Cas no 4462-95-7 (1,3-Cyclobutanedicarboxylicacid, 2,4-diphenyl-)

1,3-Cyclobutanedicarboxylicacid, 2,4-diphenyl- structure
4462-95-7 structure
Product Name:1,3-Cyclobutanedicarboxylicacid, 2,4-diphenyl-
CAS No:4462-95-7
MF:C18H16O4
MW:296.317245483398
CID:331569
PubChem ID:78213
Update Time:2025-04-19

1,3-Cyclobutanedicarboxylicacid, 2,4-diphenyl- Chemical and Physical Properties

Names and Identifiers

    • 1,3-Cyclobutanedicarboxylicacid, 2,4-diphenyl-
    • 2,4-Diphenyl-1,3-cyclobutanedicarboxylic acid
    • 2,4-Diphenyl-cyclobutan-1,3-dicarbonsaeure
    • 2,4-Diphenyl-cyclobutan-dicarbonsaeure-(1,3)
    • 2,4-diphenyl-cyclobutane-1,3-dicarboxylic acid
    • Einecs 224-724-3
    • truxillic acid
    • ??-Truxillic acid
    • Truxillic acid alpha-isomer
    • Q6172554
    • SCHEMBL15590565
    • NSC 103001
    • NS00031446
    • SCHEMBL3482620
    • SCHEMBL21120223
    • IDI1_019387
    • 821BB4R21V
    • AB01330753-02
    • NSC-103001
    • 2beta,4alpha-Diphenyl-1beta,3alpha-cyclobutanedicarboxylic acid
    • FT-0600226
    • MS-24244
    • SCHEMBL20614651
    • rel-(1R,2R,3S,4S)-2,4-Diphenylcyclobutane-1,3-dicarboxylic acid
    • SCHEMBL20598122
    • NCGC00172589-02
    • 2,4-Diphenylcyclobutane-1,3-dicarboxylic acid
    • CBDivE_013278
    • TRUXILLIC ACID .ALPHA.-ISOMER
    • 1,3-Cyclobutanedicarboxylic acid, 2,4-diphenyl-, (1alpha,2alpha,3beta,4beta)-
    • Truxillic acid, alpha-isomer
    • CCG-103288
    • SR-01000078302
    • Q27269288
    • CHEMBL1098368
    • AKOS040732416
    • 490-20-0
    • Truxillic acid alpha-isomer [MI]
    • CS-0064284
    • HMS1473D03
    • CHEMBL4277988
    • Gratissimic acid
    • DTXSID20196252
    • DTXSID501316746
    • 1,3-diphenylcyclobutane-2,4-dicarboxylic
    • HY-114771
    • 1,3-Cyclobutanedicarboxylic acid, 2,4-diphenyl-
    • NCGC00172589-01
    • ChemDiv3_000069
    • 1,3-CYCLOBUTANEDICARBOXYLIC ACID, 2,4-DIPHENYL-, (1.ALPHA.,2.ALPHA.,3.BETA.,4.BETA.)-
    • BDBM50468455
    • .ALPHA.-TRUXILLIC ACID
    • alpha-Truxillic Acid
    • NSC103001
    • Cocaic acid
    • Oprea1_453209
    • QWFRRFLKWRIKSZ-UHFFFAOYSA-N
    • AKOS001483772
    • TRUXILLIC ACID [MI]
    • SCHEMBL18674152
    • SCHEMBL4560501
    • SR-01000078302-1
    • 4462-95-7
    • 2,4-Diphenyl-1,3-cyclobutanedicarboxylic acid #
    • TRUXILLIC ACID, .ALPHA.-ISOMER
    • UNII-821BB4R21V
    • Inchi： 1S/C18H16O4/c19-17(20)15-13(11-7-3-1-4-8-11)16(18(21)22)14(15)12-9-5-2-6-10-12/h1-10,13-16H,(H,19,20)(H,21,22)
    • InChI Key： QWFRRFLKWRIKSZ-UHFFFAOYSA-N
    • SMILES： OC(C1C(C2C=CC=CC=2)C(C(=O)O)C1C1C=CC=CC=1)=O

Computed Properties

  • Exact Mass: 296.10500
  • Monoisotopic Mass: 296.105
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 22
  • Rotatable Bond Count: 4
  • Complexity: 369
  • 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: 74.6A^2

Experimental Properties

  • Density: 1.323
  • Boiling Point: 470.5 ℃ at 760mmHg
  • Flash Point: 252.4 ℃
  • Refractive Index: 1.629
  • PSA: 74.60000
  • LogP: 2.96920

1,3-Cyclobutanedicarboxylicacid, 2,4-diphenyl- Customs Data

  • HS CODE：2917399090
  • Customs Data：

    China Customs Code:

    2917399090

    Overview:

    2917399090 Other aromatic polycarboxylic acids. VAT:17.0% Tax refund rate:9.0% Regulatory conditions:nothing MFN tariff:6.5% general tariff:30.0%

    Declaration elements:

    Product Name, component content, use to, Terephthalic acid please specify4-CBAvalue, Terephthalic acid please specifyP-TLacid value, Terephthalic acid please indicate color, Terephthalic acid please indicate moisture

    Summary:

    2917399090 aromatic polycarboxylic acids, their anhydrides, halides, peroxides, peroxyacids and their derivatives.Supervision conditions:None.VAT:17.0%.Tax rebate rate:9.0%.MFN tariff:6.5%.General tariff:30.0%

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