BISPHENOL A-D16

Base Information

• Chemical Name: BISPHENOL A-D16
• CAS No.: 96210-87-6
• Molecular Formula: C15D16O2
• Molecular Weight: 244.38
• European Community (EC) Number: 685-069-0
• DSSTox Substance ID: DTXSID40583721
• Nikkaji Number: J1.081.445F
• Wikidata: Q82475323
• Mol file: 96210-87-6.mol

Synonyms:BisphenolA-d16;

Chemical Property of BISPHENOL A-D16

Chemical Property:

• Melting Point: 157-159 °C(lit.)
• Boiling Point: 400.8 °C at 760 mmHg
• Flash Point: 192.4 °C
• PSA: 40.46000
• Density: 1.224 g/cm³
• LogP: 3.42370
• Storage Temp.: room temp
• XLogP3: 3.3
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 244.215457684
• Heavy Atom Count: 17
• Complexity: 209

Purity/Quality:

99% ^*data from raw suppliers

Bisphenol A-d16 98 atom % D ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi, Xn
• Hazard Codes: Xi,Xn
• Statements: 36/37/38-41-62-43-37-52
• Safety Statements: 26-36-46-36/37/39-61-39-36/37

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)(C1=CC=C(C=C1)O)C2=CC=C(C=C2)O
• Isomeric SMILES: [2H]C1=C(C(=C(C(=C1C(C2=C(C(=C(C(=C2[2H])[2H])O[2H])[2H])[2H])(C([2H])([2H])[2H])C([2H])([2H])[2H])[2H])[2H])O[2H])[2H]