Cas no 287399-32-0 (Ethyl-α-13C-benzene)

Ethyl-α-13C-benzene is a stable isotope-labeled compound where the α-carbon of the ethyl group is enriched with carbon-13 (13C). This labeling ensures high isotopic purity, making it valuable for applications in nuclear magnetic resonance (NMR) spectroscopy and mass spectrometry (MS), where precise tracking of molecular pathways or structural elucidation is required. The 13C enrichment enhances signal detection sensitivity and accuracy in analytical studies. Its well-defined chemical structure and isotopic integrity make it suitable for use as an internal standard or tracer in metabolic research, organic synthesis, and mechanistic investigations. The compound is synthesized under controlled conditions to guarantee consistency and reliability in experimental outcomes.
Ethyl-α-13C-benzene structure
Ethyl-α-13C-benzene structure
Product Name:Ethyl-α-13C-benzene
CAS No:287399-32-0
MF:C8H10
MW:107.157657146454
CID:248731
PubChem ID:16217335
Update Time:2025-05-28

Ethyl-α-13C-benzene Chemical and Physical Properties

Names and Identifiers

    • Benzene, ethyl-1-13C-(9CI)
    • Ethyl-1-13C-benzene
    • D98792
    • (113C)ethylbenzene
    • J-017239
    • (1-~13~C)Ethylbenzene
    • ETHYL-1-13C-BENZENE 99 ATOM % 13C
    • Ethyl-1-13C-benzene, 99 atom % 13C
    • 287399-32-0
    • DTXSID40584334
    • Ethyl-α-13C-benzene
    • Inchi： 1S/C8H10/c1-2-8-6-4-3-5-7-8/h3-7H,2H2,1H3/i2+1
    • InChI Key： YNQLUTRBYVCPMQ-VQEHIDDOSA-N
    • SMILES： [13CH2](C)C1C=CC=CC=1

Computed Properties

  • Exact Mass: 107.081605154g/mol
  • Monoisotopic Mass: 107.081605154g/mol
  • Isotope Atom Count: 1
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 0
  • Heavy Atom Count: 8
  • Rotatable Bond Count: 1
  • Complexity: 51.1
  • 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: 3.1
  • Topological Polar Surface Area: 0?2

Experimental Properties

  • Density: 0.875?g/mL?at 25?°C
  • Boiling Point: 136?°C(lit.)
  • Flash Point: 22?°C

Ethyl-α-13C-benzene Security Information

  • Hazardous Material transportation number：UN 1175 3/PG 2
  • WGK Germany：1
  • Hazard Category Code： 11-20
  • Safety Instruction： 16-24/25-29
  • Hazardous Material Identification： F Xn

Ethyl-α-13C-benzene Pricemore >>

Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
TRC
E899751-5mg
Ethyl-α-13C-benzene
 287399-32-0
5mg
 $ 64.00 2023-09-07
TRC
E899751-10mg
Ethyl-α-13C-benzene
 287399-32-0
10mg
 $ 81.00 2023-09-07
TRC
E899751-50mg
Ethyl-α-13C-benzene
 287399-32-0
50mg
 $167.00 2023-05-18
XI GE MA AO DE LI QI （ SHANG HAI ） MAO YI Co., Ltd.
578584-500MG
Ethyl-α-13C-benzene
 287399-32-0
500mg
 ￥18938.12 2023-12-03

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