Cas no 104873-01-0 (Acetic acid,(2,4,5-trichlorophenoxy)-, labeled with carbon-14 (9CI))

Acetic acid,(2,4,5-trichlorophenoxy)-, labeled with carbon-14 (9CI) structure
104873-01-0 structure
Product Name:Acetic acid,(2,4,5-trichlorophenoxy)-, labeled with carbon-14 (9CI)
CAS No:104873-01-0
MF:C8H5Cl3O3
MW:267.437747716904
CID:126512
PubChem ID:92043998
Update Time:2025-04-18

Acetic acid,(2,4,5-trichlorophenoxy)-, labeled with carbon-14 (9CI) Chemical and Physical Properties

Names and Identifiers

    • Acetic acid,(2,4,5-trichlorophenoxy)-, labeled with carbon-14 (9CI)
    • 2,4,5-TRICHLOROPHENOXY-ACETIC ACID-RING-UL-14C
    • 104873-01-0
    • Inchi: 1S/C8H5Cl3O3/c9-4-1-6(11)7(2-5(4)10)14-3-8(12)13/h1-2H,3H2,(H,12,13)/i1+2,2+2,4+2,5+2,6+2,7+2
    • InChI Key: SMYMJHWAQXWPDB-ZKEOZTQVSA-N
    • SMILES: Cl[14C]1[14CH]=[14C]([14C](=[14CH][14C]=1OCC(=O)O)Cl)Cl

Computed Properties

  • Exact Mass: 265.949879g/mol
  • Monoisotopic Mass: 265.949879g/mol
  • Isotope Atom Count: 6
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 14
  • Rotatable Bond Count: 3
  • Complexity: 212
  • 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: 3.3
  • Topological Polar Surface Area: 46.5?2

Experimental Properties

  • PSA: 46.53000
  • LogP: 3.11020

Acetic acid,(2,4,5-trichlorophenoxy)-, labeled with carbon-14 (9CI) Security Information

  • Hazardous Material transportation number:UN 2910 7
  • WGK Germany:3
  • Hazard Category Code: 45-46-23/24/25-36/37/38
  • Safety Instruction: 53-22-26-36/37/39-45
  • Hazardous Material Identification: T
  • Risk Phrases:45-46-23/24/25-36/37/38
  • Safety Term:Hazard Codes TRisk Statements 45-46-23/24/25-36/37/38Safety Statements 53-22-26-36/37/39-45RIDADR UN 2910 7WGK Germany 3
  • Storage Condition:2-8°C
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