Cas no 93012-30-7 (Biphenyl-2,2'-diacetonitrile)

Biphenyl-2,2'-diacetonitrile structure
Biphenyl-2,2'-diacetonitrile structure
Product Name:Biphenyl-2,2'-diacetonitrile
CAS No:93012-30-7
MF:C16H14O4
MW:270.279964923859
MDL:MFCD00033271
CID:815903
PubChem ID:419552
Update Time:2025-04-19

Biphenyl-2,2'-diacetonitrile Chemical and Physical Properties

Names and Identifiers

    • 2,2-Biphenyldiacetic acid
    • BIPHENYL-2,2'-DIACETONITRILE
    • 2,2'-biphenyldiessigsaeure
    • biphenyl-2,2'-diyldi-acetic acid
    • Biphenyl-2,2'-diyldi-essigsaeure
    • Phosphorothioic acid,O,O-dimethyl ester,O-ester with 3-chloro-4-hydroxybenzonitrile
    • 2,2'-Biphenyldiacetic acid
    • 2-[2-[2-(carboxymethyl)phenyl]phenyl]acetic acid
    • AKOS024337243
    • DTXSID30918780
    • 2-[2'-(carboxymethyl)-[1,1'-biphenyl]-2-yl]acetic acid
    • 93012-30-7
    • A844423
    • NSC116230
    • NSC-116230
    • SCHEMBL7827157
    • Biphenyl-2,2'-diacetonitrile
    • MDL: MFCD00033271
    • Inchi: 1S/C16H14O4/c17-15(18)9-11-5-1-3-7-13(11)14-8-4-2-6-12(14)10-16(19)20/h1-8H,9-10H2,(H,17,18)(H,19,20)
    • InChI Key: IXBKIGKDLZRRAL-UHFFFAOYSA-N
    • SMILES: OC(CC1C=CC=CC=1C1C=CC=CC=1CC(=O)O)=O

Computed Properties

  • Exact Mass: 232.10000
  • Monoisotopic Mass: 232.1
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 18
  • Rotatable Bond Count: 3
  • Complexity: 320
  • 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
  • Topological Polar Surface Area: 47.6A^2
  • XLogP3: 2.5

Experimental Properties

  • Density: 1.121g/cm3
  • Melting Point: 78-79°C
  • Boiling Point: 468.1oC at 760mmHg
  • Flash Point: 231.7oC
  • Refractive Index: 1.614
  • PSA: 47.58000
  • LogP: 3.48576

Biphenyl-2,2'-diacetonitrile Security Information

  • Hazardous Material Identification: Xi
  • HazardClass:IRRITANT

Biphenyl-2,2'-diacetonitrile 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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