2,5-Dichloro-1,4-benzenediamine

Inquiry

Molecular Formula:

C6H6Cl2N2

Molecular Weight:

177.03

CAS Number:

20103-09-7

Catalog Number:

20103-09-7

Product Information

Molecular Formula:

C6H6Cl2N2

Molecular Weight:

177.03

Description

2,5-Dichloro-1,4-benzonediamine is a complex medicinal molecule that aids in the synthesis of alkylating agents.

Synonyms

BUTTPARK 100\01-20; AURORA KA-7368; 2,5-DICHLORO-4-PHENYLENEDIAMINE; 2,5-dichlorobenzene-1,4-diamine; 2.5-DICHLORO-1.4-BENZENEDIAMINE; 2,5-DICHLORO-1,4-PHENYLENEDIAMINE; 2,5 DICHLORO PPD; 2,5-DICHLORO-P-PHENYLENEDIAMINE

IUPAC Name

2,5-dichlorobenzene-1,4-diamine

Canonical SMILES

C1=C(C(=CC(=C1Cl)N)Cl)N

InChI

InChI=1S/C6H6Cl2N2/c7-3-1-5(9)4(8)2-6(3)10/h1-2H,9-10H2

InChI Key

QAYVHDDEMLNVMO-UHFFFAOYSA-N

Boiling Point

291.88°C (rough estimate)

Melting Point

164-166 °C (dec.)(lit.)

Purity

>98.0%(GC)(T)

Density

1.501g/cm3

Solubility

SLIGHTLY SOLUBLE IN WATER AND ALCOHOL

Appearance

light brown to pinkish-grey powder

Storage

2-8℃

Refractive Index

1.6400 (estimate)

Safety Information

Hazards

H302:
Harmful if swallowed.
H315:
Causes skin irritation.
H319:
Causes serious eye irritation.

Precautionary Statement

P264:
Wash thoroughly after handling.
P270:
Do not eat, drink or smoke when using this product.
P280:
Wear protective gloves/protective clothing/eye protection/face protection.
P301+P312+P330:
IF SWALLOWED:
Call a POISON CENTER or doctor/physician if you feel unwell.
Rinse mouth.
P337+P313:
If eye irritation persists:
Get medical advice/attention.
P501:
Dispose of contents/container in accordance with local/regional/national/international regulations.

Computed Properties

XLogP3

2.4

Hydrogen Bond Donor Count

Hydrogen Bond Acceptor Count

Rotatable Bond Count

Exact Mass

175.9908036 g/mol

Monoisotopic Mass

175.9908036 g/mol

Topological Polar Surface Area

52Å²

Heavy Atom Count

Formal Charge

Complexity

106

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

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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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