Cas no 77504-84-8 (Phenol, 2-methyl-,labeled with carbon-14 (9CI))

Phenol, 2-methyl-,labeled with carbon-14 (9CI) structure
77504-84-8 structure
Product Name:Phenol, 2-methyl-,labeled with carbon-14 (9CI)
CAS No:77504-84-8
MF:C7H8O
MW:120.093070030212
CID:550083
PubChem ID:90476059
Update Time:2025-04-19

Phenol, 2-methyl-,labeled with carbon-14 (9CI) Chemical and Physical Properties

Names and Identifiers

    • Phenol, 2-methyl-,labeled with carbon-14 (9CI)
    • O-CRESOL-RING-UL-14C
    • 77504-84-8
    • Inchi: 1S/C7H8O/c1-6-4-2-3-5-7(6)8/h2-5,8H,1H3/i2+2,3+2,4+2,5+2,6+2,7+2
    • InChI Key: QWVGKYWNOKOFNN-POOLIRAVSA-N
    • SMILES: O[14C]1[14CH]=[14CH][14CH]=[14CH][14C]=1C

Computed Properties

  • Exact Mass: 120.0769668g/mol
  • Monoisotopic Mass: 120.0769668g/mol
  • Isotope Atom Count: 6
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 8
  • Rotatable Bond Count: 0
  • Complexity: 70.8
  • 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
  • Topological Polar Surface Area: 20.2?2

Phenol, 2-methyl-,labeled with carbon-14 (9CI) Security Information

  • Hazardous Material transportation number:UN 2910 7
  • WGK Germany:3
  • Hazard Category Code: 11-23/24/25-34
  • Safety Instruction: 16-26-36/37/39-45
  • Hazardous Material Identification: F T R
  • Storage Condition:2-8°C
  • Risk Phrases:11-23/24/25-34
  • Safety Term:16-26-36/37/39-45
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