2,6-Dibromo-1,4-phenylenediamine

Inquiry

Molecular Formula:

C6H6Br2N2

Molecular Weight:

265.94

CAS Number:

29213-03-4

Catalog Number:

29213-03-4

Product Information

Molecular Formula:

C6H6Br2N2

Molecular Weight:

265.94

Description

2,6-Dibromo-1,4-phenylenediamine is a chemical compound that plays a pivotal role in the biomedical sector. It is a primary ingredient in manufacturing drugs and therapies for treating cancer due to its cytotoxic properties, specifically halting the growth of cancer cells.

Synonyms

2,5-Diamino-1,3-dibromobenzene

IUPAC Name

2,6-dibromobenzene-1,4-diamine

Canonical SMILES

C1=C(C=C(C(=C1Br)N)Br)N

InChI

InChI=1S/C6H6Br2N2/c7-4-1-3(9)2-5(8)6(4)10/h1-2H,9-10H2

InChI Key

NIXNGYGWQMXMCA-UHFFFAOYSA-N

Boiling Point

332.5±37.0 °C(Predicted)

Melting Point

136.0 to 140.0 °C

Purity

>98.0%(GC)(T)

Density

2.104±0.06 g/cm3(Predicted)

Appearance

Light yellow 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

1.9

Hydrogen Bond Donor Count

Hydrogen Bond Acceptor Count

Rotatable Bond Count

Exact Mass

265.88772 g/mol

Monoisotopic Mass

263.88977 g/mol

Topological Polar Surface Area

52Å²

Heavy Atom Count

Formal Charge

Complexity

108

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

Patents

Publication Number	Title	Priority Date
CN-113201804-A	Fiber and preparation method thereof	2021-05-21
CN-112301443-A	Three-stage heat setting method of heterocyclic aramid fiber	2019-08-01
WO-2020066218-A1	Binder for negative electrode	2018-09-25
JP-2020027791-A	Negative electrode, method for producing negative electrode, and binder for electrode	2018-08-10
WO-2020031596-A1	Negative electrode, method for producing negative electrode, and binder for electrode	2018-08-10
WO-2020031597-A1	Method for producing negative electrode, and binder for electrode	2018-08-10
CN-112640166-A	Negative electrode, method for producing negative electrode, and binder for electrode	2018-08-10
US-2021280861-A1	Negative electrode and method for producing negative electrode, and electrode binding agent	2018-08-10
JP-2019064981-A	Compound, and luminescent compound	2017-10-04
JP-6965083-B2	Compounds and luminescent compounds	2017-10-04

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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