2,2-Bis(4-aminophenyl)hexafluoropropane

CAS
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Purity
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CAS
1095-78-9
Size
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Purity
98.0%(GC)(T)
Price
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Availability
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Quantity
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Catalog Number

ACM-MO-1095789

Product Name

2,2-Bis(4-aminophenyl)hexafluoropropane

Structure

Structure

CAS

1095-78-9

Category

Polymer/Macromolecule

Synonyms

4,4'-(Hexafluoroisopropylidene)dianiline;
BIS-A-AF

IUPAC Name

4-[2-(4-aminophenyl)-1,1,1,3,3,3-hexafluoropropan-2-yl]aniline

Molecular Weight

334.27 g/mol

Molecular Formula

C15H12F6N2

Canonical SMILES

C1=CC(=CC=C1C(C2=CC=C(C=C2)N)(C(F)(F)F)C(F)(F)F)N

InChI

InChI=1S/C15H12F6N2/c16-14(17,18)13(15(19,20)21,9-1-5-11(22)6-2-9)10-3-7-12(23)8-4-10/h1-8H,22-23H2

InChI Key

BEKFRNOZJSYWKZ-UHFFFAOYSA-N

Melting Point

198 °C

Solubility

Slightly soluble in water.Soluble in methanol

Appearance

White to Light Yellow to Light Orange Powder to Crystal

Complexity

352

Condition To Avoid

Air Sensitive

Covalently-Bonded Unit Count

1

Exact Mass

334.090467g/mol

Formal Charge

0

H-Bond Acceptor

8

H-Bond Donor

2

Heavy Atom Count

23

Monoisotopic Mass

334.090467g/mol

Physical State

Solid

Rotatable Bond Count

2

XLogP3

4.5

MSDS

COA

Spec Sheet

Download Spec Sheet

What is the molecular formula of 2,2-Bis(4-aminophenyl)hexafluoropropane?

The molecular formula is C15H12F6N2.

What is the molecular weight of 2,2-Bis(4-aminophenyl)hexafluoropropane?

The molecular weight is 334.26 g/mol.

What is the IUPAC name of 2,2-Bis(4-aminophenyl)hexafluoropropane?

The IUPAC name is 4-[2-(4-aminophenyl)-1,1,1,3,3,3-hexafluoropropan-2-yl]aniline.

What is the InChI of 2,2-Bis(4-aminophenyl)hexafluoropropane?

The InChI is InChI=1S/C15H12F6N2/c16-14(17,18)13(15(19,20)21,9-1-5-11(22)6-2-9)10-3-7-12(23)8-4-10/h1-8H,22-23H2.

What is the InChIKey of 2,2-Bis(4-aminophenyl)hexafluoropropane?

The InChIKey is BEKFRNOZJSYWKZ-UHFFFAOYSA-N.

What is the canonical SMILES representation of 2,2-Bis(4-aminophenyl)hexafluoropropane?

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

What is the CAS number of 2,2-Bis(4-aminophenyl)hexafluoropropane?

The CAS number is 1095-78-9.

What is the ChEMBL ID of 2,2-Bis(4-aminophenyl)hexafluoropropane?

The ChEMBL ID is CHEMBL2392774.

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

The DSSTox Substance ID is DTXSID60883250.

Does 2,2-Bis(4-aminophenyl)hexafluoropropane have a defined bond stereocenter count?

No, it does not have a defined bond stereocenter count.

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