Cas no 5457-11-4 (Propanedioic acid,diphenyl- (9CI))

Propanedioic acid,diphenyl- (9CI) structure
5457-11-4 structure
Product Name:Propanedioic acid,diphenyl- (9CI)
CAS No:5457-11-4
MF:C15H12O4
MW:256.253384590149
CID:369754
PubChem ID:228411
Update Time:2025-04-19

Propanedioic acid,diphenyl- (9CI) Chemical and Physical Properties

Names and Identifiers

    • Propanedioic acid,diphenyl- (9CI)
    • diphenyl-malonic acid
    • Diphenylmalonsaeure
    • diphenylpropanedioic acid
    • SCHEMBL226184
    • 5457-11-4
    • NSC21332
    • NSC-21332
    • 2,2-diphenylpropanedioic acid
    • Diphenylmalonsaure
    • DTXSID40281336
    • Inchi： 1S/C15H12O4/c16-13(17)15(14(18)19,11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10H,(H,16,17)(H,18,19)
    • InChI Key： YJGUVTBNQCVSQB-UHFFFAOYSA-N
    • SMILES： OC(C(C(=O)O)(C1C=CC=CC=1)C1C=CC=CC=1)=O

Computed Properties

  • Exact Mass: 256.07400
  • Monoisotopic Mass: 256.074
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 19
  • Rotatable Bond Count: 4
  • Complexity: 304
  • 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
  • XLogP3: 2.7
  • Topological Polar Surface Area: 74.6?2

Experimental Properties

  • Density: 1.334
  • Boiling Point: 422.5°C at 760 mmHg
  • Flash Point: 223.4°C
  • Refractive Index: 1.621
  • PSA: 74.60000
  • LogP: 2.14190

Propanedioic acid,diphenyl- (9CI) 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%

Propanedioic acid,diphenyl- (9CI) Related Literature

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