Cas no 70838-83-4 (Phthalic-13C Acid)

Phthalic-13C Acid structure
Phthalic-13C Acid structure
Product Name:Phthalic-13C Acid
CAS No:70838-83-4
MF:C8H6O4
MW:168.11615228653
CID:975679
PubChem ID:16213470
Update Time:2025-04-19

Phthalic-13C Acid Chemical and Physical Properties

Names and Identifiers

    • phthalic acid (carboxyl-13c)
    • 1,2-(Benzene-d4)dicarboxylic Acid
    • 490520_ALDRICH
    • o-Carboxybenzoic Acid-13C2
    • o-Dicarboxybenzene-13C2
    • Phthalic Acid-13C2
    • Phthalic acid-2,2-13C2
    • Phthalic acid-carboxy-13C2
    • Phthalsaeure-< carboxyl-13C>
    • Sunftal 20-13C2
    • DTXSID10583975
    • 70838-83-4
    • CID 16213470
    • 254110-94-6
    • Benzene-1,2-(~13~C_2_)dicarboxylic acid
    • Phthalic-(dicarboxyl-13C2) acid, 99 atom % 13C
    • Phthalic-13C Acid
    • Inchi: 1S/C8H6O4/c9-7(10)5-3-1-2-4-6(5)8(11)12/h1-4H,(H,9,10)(H,11,12)/i7+1,8+1
    • InChI Key: XNGIFLGASWRNHJ-BFGUONQLSA-N
    • SMILES: O[13C](C1C=CC=CC=1[13C](=O)O)=O

Computed Properties

  • Exact Mass: 168.03331834g/mol
  • Monoisotopic Mass: 168.03331834g/mol
  • Isotope Atom Count: 2
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 12
  • Rotatable Bond Count: 2
  • Complexity: 177
  • 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: nothing
  • Topological Polar Surface Area: 74.6?2

Experimental Properties

  • Melting Point: 210-211?°C(lit.)

Phthalic-13C Acid Security Information

  • WGK Germany:3
  • Hazard Category Code: 36/37/38
  • Safety Instruction: 26-36
  • Hazardous Material Identification: Xi
  • Risk Phrases:36/37/38

Phthalic-13C Acid Pricemore >>

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