4,4'-Dinitro-3,3'-bis(trifluoromethyl)biphenyl

Inquiry

Molecular Formula:

C14H6F6N2O4

Molecular Weight:

380.20

CAS Number:

363-95-1

Catalog Number:

363-95-1

Product Information

Molecular Formula:

C14H6F6N2O4

Molecular Weight:

380.20

Description

Applications: 4,4'-Dinitro-3,3'-bis(trifluoromethyl)biphenyl

Synonyms

4,4'-Dinitro-3,3'-bis(trifluoromethyl)biphenyl; 3,3'-bis-(Trifluoromethyl)-4,4'-dinitrobiphenyl

IUPAC Name

1-nitro-4-[4-nitro-3-(trifluoromethyl)phenyl]-2-(trifluoromethyl)benzene

Canonical SMILES

C1=CC(=C(C=C1C2=CC(=C(C=C2)[N+](=O)[O-])C(F)(F)F)C(F)(F)F)[N+](=O)[O-]

InChI

InChI=1S/C14H6F6N2O4/c15-13(16,17)9-5-7(1-3-11(9)21(23)24)8-2-4-12(22(25)26)10(6-8)14(18,19)20/h1-6H

InChI Key

XTBWIABPTZDUPM-UHFFFAOYSA-N

Boiling Point

429.974ºC at 760 mmHg

Purity

95%

Density

1.549 g/cm3

Computed Properties

XLogP3

Hydrogen Bond Donor Count

Hydrogen Bond Acceptor Count

Rotatable Bond Count

Exact Mass

380.02317565 g/mol

Monoisotopic Mass

380.02317565 g/mol

Topological Polar Surface Area

91.6Å²

Heavy Atom Count

Formal Charge

Complexity

494

Isotope Atom Count

Defined Atom Stereocenter Count

Undefined Atom Stereocenter Count

Defined Bond Stereocenter Count

Undefined Bond Stereocenter Count

Covalently-Bonded Unit Count

Compound Is Canonicalized

Yes

The molarity calculator equation

Mass (g) = Concentration (mol/L) × Volume (L) × Molecular Weight (g/mol)

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The dilution calculator equation

Concentration _(start) × Volume _(start) = Concentration _(final) × Volume _(final)

This equation is commonly abbreviated as: C₁V₁ = C₂V₂

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4,4'-Dinitro-3,3'-bis(trifluoromethyl)biphenyl

Product Information

Computed Properties

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