Cumene-isopropyl-d7

Base Information

• Chemical Name: Cumene-isopropyl-d7
• CAS No.: 20201-28-9
• Molecular Formula: C6H5CH(CD3)2
• Molecular Weight: 126.23
• European Community (EC) Number: 693-365-6
• DSSTox Substance ID: DTXSID20444240
• Nikkaji Number: J2.290.876F
• Wikidata: Q82262324
• Mol file: 20201-28-9.mol

Synonyms:Cumene-isopropyl-d7;20201-28-9;1,1,1,2,3,3,3-heptadeuteriopropan-2-ylbenzene;2-PHENYLPROPANE-1,1,1,2,3,3,3-D7;DTXSID20444240;Isopropyl-d7-benzene, 98 atom % D;D98695

Chemical Property of Cumene-isopropyl-d7

Chemical Property:

• Boiling Point: 152-154oC
• Flash Point: 31oC
• PSA: 0.00000
• Density: 0.914 g/mL at 25oC
• LogP: 2.81000
• XLogP3: 3.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 1
• Exact Mass: 127.137837604
• Heavy Atom Count: 9
• Complexity: 68.1

Purity/Quality:

98% atom D ^*data from raw suppliers

2-Phenylpropane-1,1,1,2,3,3,3-d7 ^*data from reagent suppliers

Safty Information:

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

MSDS Files:

SDS file from LookChem

Useful:

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

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