2,2-Bis(3-amino-4-hydroxyphenyl)hexafluoropropane

• Catalog Number: ACM-MO-83558876B
• Product Name: 2,2-Bis(3-amino-4-hydroxyphenyl)hexafluoropropane
• CAS: 83558-87-6
• Category: Aryl
• Synonyms: 4,4'-(Hexafluoroisopropylidene)bis(2-aminophenol);; BAFA
• IUPAC Name: 2-amino-4-[2-(3-amino-4-hydroxyphenyl)-1,1,1,3,3,3-hexafluoropropan-2-yl]phenol
• Molecular Weight: 366.26 g/mol
• Molecular Formula: C15H12F6N2O2
• Canonical SMILES: C1=CC(=C(C=C1C(C2=CC(=C(C=C2)O)N)(C(F)(F)F)C(F)(F)F)N)O
• InChI: InChI=1S/C15H12F6N2O2/c16-14(17,18)13(15(19,20)21,7-1-3-11(24)9(22)5-7)8-2-4-12(25)10(23)6-8/h1-6,24-25H,22-23H2
• InChI Key: MSTZGVRUOMBULC-UHFFFAOYSA-N
• Melting Point: 243 °C
• Solubility: Insoluble in water.Soluble in methanol, dimethylformamide.
• Appearance: White to Almost White Powder to Crystal
• Complexity: 428
• Covalently-Bonded Unit Count: 1
• Exact Mass: 366.080297g/mol
• Formal Charge: 0
• Hazard Statements: H315-H319-H335
• H-Bond Acceptor: 10
• H-Bond Donor: 4
• Heavy Atom Count: 25
• Monoisotopic Mass: 366.080297g/mol
• Physical State: Solid
• RIDADR: NONH for all modes of transport
• Rotatable Bond Count: 2
• Symbol: GHS07
• XLogP3: 3.8

Custom Q&A

What is the molecular formula of 2,2-Bis(3-amino-4-hydroxyphenyl)hexafluoropropane?

The molecular formula is C15H12F6N2O2.

What is the molecular weight of 2,2-Bis(3-amino-4-hydroxyphenyl)hexafluoropropane?

The molecular weight is 366.26 g/mol.

What is the IUPAC name of 2,2-Bis(3-amino-4-hydroxyphenyl)hexafluoropropane?

The IUPAC name is 2-amino-4-[2-(3-amino-4-hydroxyphenyl)-1,1,1,3,3,3-hexafluoropropan-2-yl]phenol.

What is the InChI of 2,2-Bis(3-amino-4-hydroxyphenyl)hexafluoropropane?

The InChI is InChI=1S/C15H12F6N2O2/c16-14(17,18)13(15(19,20)21,7-1-3-11(24)9(22)5-7)8-2-4-12(25)10(23)6-8/h1-6,24-25H,22-23H2.

What is the InChIKey of 2,2-Bis(3-amino-4-hydroxyphenyl)hexafluoropropane?

The InChIKey is MSTZGVRUOMBULC-UHFFFAOYSA-N.

What is the canonical SMILES of 2,2-Bis(3-amino-4-hydroxyphenyl)hexafluoropropane?

The canonical SMILES is C1=CC(=C(C=C1C(C2=CC(=C(C=C2)O)N)(C(F)(F)F)C(F)(F)F)N)O.

What is the CAS number of 2,2-Bis(3-amino-4-hydroxyphenyl)hexafluoropropane?

The CAS number is 83558-87-6.

What is the ChEMBL ID of 2,2-Bis(3-amino-4-hydroxyphenyl)hexafluoropropane?

The ChEMBL ID is CHEMBL2392776.

What is the DSSTox Substance ID of 2,2-Bis(3-amino-4-hydroxyphenyl)hexafluoropropane?

The DSSTox Substance ID is DTXSID70888610.

Is 2,2-Bis(3-amino-4-hydroxyphenyl)hexafluoropropane a canonical compound?

Yes, 2,2-Bis(3-amino-4-hydroxyphenyl)hexafluoropropane is a canonical compound.