1,3-Benzenediamine,2,4,5,6-tetrafluoro-

Inquiry

Molecular Formula:

C6H4 F4 N2

Molecular Weight:

180.103

CAS Number:

1198-63-6

Catalog Number:

1198-63-6

Product Information

Molecular Formula:

C6H4 F4 N2

Molecular Weight:

180.103

Description

1,3-Benzenediamine,2,4,5,6-tetrafluoro- is a beneficial component in pharmaceutical chemistry, primarily utilized as a synthetic reagent. It plays a vital role in the development of drugs targeted to combat various neurological disorders and cardiovascular diseases.

Synonyms

2,4,5,6-TETRAFLUORO-M-PHENYLENE DIAMINE; 2,4,5,6-TETRAFLUOROPHENYLENE-1,3-DIAMINE; 2,4,5,6-TETRAFLUORO-1,3-PHENYLENEDIAMINE; 2,4,5,6-TETRAFLUOROBENZENE-1,3-DIAMINE; 1,3-DIAMINO-2,4,5,6-TETRAFLUOROBENZENE; 1,3-DIAMINOTETRAFLUOROBENZENE

IUPAC Name

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

Canonical SMILES

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

InChI

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

InChI Key

FXGQUGCFZKMIJW-UHFFFAOYSA-N

Boiling Point

223.4ºC at 760 mmHg

Melting Point

131-132ºC

Purity

95%

Density

1,35 g/cm3

Appearance

White to Light yellow to Light orange 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

152

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)

Mass

Concentration

Volume

Molecular Weight *

Calculate

The dilution calculator equation

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

This equation is commonly abbreviated as: C₁V₁ = C₂V₂

Concentration _(start)

Volume _(start)

Concentration _(final)

Volume _(final)

Calculate

1,3-Benzenediamine,2,4,5,6-tetrafluoro-

Product Information

Safety Information

Computed Properties

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