1,2,3,4,5-Pentadeuterio-6-(1,1,1,2,3,3,3-heptadeuteriopropan-2-yl)benzene

Base Information

• Chemical Name: 1,2,3,4,5-Pentadeuterio-6-(1,1,1,2,3,3,3-heptadeuteriopropan-2-yl)benzene
• CAS No.: 97732-82-6
• Molecular Formula: C₉H₁₂
• Molecular Weight: 132.099
• European Community (EC) Number: 685-463-2
• Nikkaji Number: J2.290.877D
• Mol file: 97732-82-6.mol

Synonyms:Cumene-D12;97732-82-6;1,2,3,4,5-pentadeuterio-6-(1,1,1,2,3,3,3-heptadeuteriopropan-2-yl)benzene;Cumene-d12 (Isopropylbenzene-d12);MFCD00800566;D99209

Chemical Property of 1,2,3,4,5-Pentadeuterio-6-(1,1,1,2,3,3,3-heptadeuteriopropan-2-yl)benzene

Chemical Property:

• Flash Point: 31 °C
• PSA: 0.00000
• LogP: 2.81000
• Storage Temp.: Flammables area
• XLogP3: 3.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 1
• Exact Mass: 132.169221334
• Heavy Atom Count: 9
• Complexity: 68.1

Purity/Quality:

98% atom D ^*data from raw suppliers

2-Phenylpropane-d12 ^*data from reagent suppliers

Safty Information:

• Pictogram(s): N-Xn,F
• Hazard Codes: N-Xn,F
• Statements: 65-51/53-37-10
• Safety Statements: 62-61-37-24

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)C1=CC=CC=C1
• Isomeric SMILES: [2H]C1=C(C(=C(C(=C1[2H])[2H])C([2H])(C([2H])([2H])[2H])C([2H])([2H])[2H])[2H])[2H]

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