1,3-DIAMINO-2,4,5,6-TETRAFLUOROBENZENE

Inquiry

Molecular Formula:

C6H4F4N2

Molecular Weight:

180.1

CAS Number:

1198-64-7

Catalog Number:

1198-64-7

Product Information

Molecular Formula:

C6H4F4N2

Molecular Weight:

180.1

Description

1,3-DIAMINO-2,4,5,6-TETRAFLUOROBENZENE is a critical compound in the biomedical industry. It is often utilized in the synthesis of various pharmaceutical agents, specifically those targeting cancers and infectious diseases due to its reactivity and fluorination properties.

Synonyms

2,3,5,6-tetrafluoro-4-benzenediamine; BUTTPARK 45\01-32; DTFB; 2,3,5,6-TETRAFLUOROPHENYLENE-1,4-DIAMINE; 2,3,5,6-TETRAFLUORO-1,4-PHENYLENEDIAMINE; 2,3,5,6-TETRAFLUOROBENZENE-1,4-DIAMINE; 2,4,5,6-TETRAFLUORO-1,3-PHENYLENEDIAMINE; 2,4,5,6-TETRAFLUOROBENZENE-1,3-D

IUPAC Name

2,3,5,6-tetrafluorobenzene-1,4-diamine

Canonical SMILES

C1(=C(C(=C(C(=C1F)F)N)F)F)N

InChI

InChI=1S/C6H4F4N2/c7-1-2(8)6(12)4(10)3(9)5(1)11/h11-12H2

InChI Key

FVFYRXJKYAVFSB-UHFFFAOYSA-N

Boiling Point

213.1°C at 760mmHg

Melting Point

145°C

Purity

95%

Density

1.624g/cm3

Appearance

White to Gray to Brown powder to crystal

Safety Information

Hazards

H315:
Causes skin irritation.
H319:
Causes serious eye irritation.

Precautionary Statement

P264:
Wash thoroughly after handling.
P280:
Wear protective gloves/protective clothing/eye protection/face protection.
P302+P352:
IF ON SKIN:
Wash with plenty of soap and water.
P332+P313:
If skin irritation occurs:
Get medical advice/attention.
P337+P313:
If eye irritation persists:
Get medical advice/attention.
P362+P364:
Take off contaminated clothing. [As modified by IV ATP].
And wash it before reuse. [Added by IV ATP].

Computed Properties

XLogP3

Hydrogen Bond Donor Count

Hydrogen Bond Acceptor Count

Rotatable Bond Count

Exact Mass

180.03106078 g/mol

Monoisotopic Mass

180.03106078 g/mol

Topological Polar Surface Area

52Å²

Heavy Atom Count

Formal Charge

Complexity

134

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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Volume _(start)

Concentration _(final)

Volume _(final)

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1,3-DIAMINO-2,4,5,6-TETRAFLUOROBENZENE

Product Information

Safety Information

Computed Properties

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