Phenobarbital-D5 (D-label on ring)

Base Information

• Chemical Name: Phenobarbital-D5 (D-label on ring)
• CAS No.: 72793-46-5
• Molecular Formula: C12H7 D5 N2 O3
• Molecular Weight: 237.27
• European Community (EC) Number: 804-134-8
• DSSTox Substance ID: DTXSID60584452
• Wikidata: Q82476120
• Mol file: 72793-46-5.mol

Synonyms:72793-46-5;Phenobarbital-D5 (D-label on ring);5-ethyl-5-(2,3,4,5,6-pentadeuteriophenyl)-1,3-diazinane-2,4,6-trione;DTXSID60584452;2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-ethyl-5-(phenyl-d5)-;5-Ethyl-5-(~2~H_5_)phenylpyrimidine-2,4,6(1H,3H,5H)-trione

Chemical Property of Phenobarbital-D5 (D-label on ring)

Chemical Property:

• Flash Point: 11 °C
• PSA: 75.27000
• LogP: 1.35800
• Storage Temp.: 2-8°C
• XLogP3: 1.5
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 237.11617598
• Heavy Atom Count: 17
• Complexity: 339

Purity/Quality:

98%,99%, ^*data from raw suppliers

Phenobarbital-D5 (ring) solution (deuterium label on ring), 1.0?mg/mL in methanol, ampule of 1?mL, certified reference material, Cerilliant? ^*data from reagent suppliers

Safty Information:

• Hazard Codes: F,T
• Statements: 11-23/24/25-39/23/24/25
• Safety Statements: 7-16-36/37-45

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCC1(C(=O)NC(=O)NC1=O)C2=CC=CC=C2
• Isomeric SMILES: [2H]C1=C(C(=C(C(=C1[2H])[2H])C2(C(=O)NC(=O)NC2=O)CC)[2H])[2H]