| Identification | Back Directory | [Name]
ACETOPHENONE-13C6 | [CAS]
125770-94-7 | [Synonyms]
ACETOPHENONE-13C6
[13C6]acetophenone
[U-Ring-13C6]-Acetophenone
Acetophenone-(ring-13C6)
| [Molecular Formula]
C8H8O | [MDL Number]
MFCD04118198 | [MOL File]
125770-94-7.mol | [Molecular Weight]
126.2 |
| Chemical Properties | Back Directory | [Melting point ]
19-20°C (lit.) | [density ]
1.081 g/mL at 25 °C | [Fp ]
82°C | [form ]
Liquid | [color ]
Light brown to brown | [Boiling point ]
202°C(lit.) | [InChI]
1S/C8H8O/c1-7(9)8-5-3-2-4-6-8/h2-6H,1H3/i2+1,3+1,4+1,5+1,6+1,8+1 | [InChIKey]
KWOLFJPFCHCOCG-OLGKHRKTSA-N | [SMILES]
CC(=O)[13c]1[13cH][13cH][13cH][13cH][13cH]1 |
| Safety Data | Back Directory | [Hazard Codes ]
Xn | [Risk Statements ]
22-36 | [Safety Statements ]
26 | [RIDADR ]
UN 3334 | [WGK Germany ]
1 | [Storage Class]
10 - Combustible liquids | [Hazard Classifications]
Acute Tox. 4 Oral
Eye Irrit. 2 |
| Hazard Information | Back Directory | [Uses]
Acetophenone-13C6 is an intermediate in synthesizing Ibuprofen-13C6 (I140003), a labelled Ibuprofen. It is a selective cyclooxygenase inhibitor (IC50=14.9uM). Inhibits PGH synthase-1 and PGH synthase-2 with comparable potency. |
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