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2,2',5,5'-Tetrachlorobenzidine

2,2',5,5'-Tetrachlorobenzidine

Name: 2,2',5,5'-Tetrachlorobenzidine
Brand: BOC Sciences
Rating: 5 (1 reviews)

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Molecular Formula:

C12H8Cl4N2

Molecular Weight:

322.01

CAS Number:

15721-02-5

Catalog Number:

15721-02-5

Product Information

Molecular Formula:

C12H8Cl4N2

Molecular Weight:

322.01

Description

2,2',5,5'-Tetrachlorobenzidine is a member of biphenyls and a dichlorobenzene.

Synonyms

4,4'-Diamino-2,2',5,5'-tetrachlorobiphenyl

IUPAC Name

4-(4-amino-2,5-dichlorophenyl)-2,5-dichloroaniline

Canonical SMILES

C1=C(C(=CC(=C1Cl)N)Cl)C2=CC(=C(C=C2Cl)N)Cl

InChI

InChI=1S/C12H8Cl4N2/c13-7-3-11(17)9(15)1-5(7)6-2-10(16)12(18)4-8(6)14/h1-4H,17-18H2

InChI Key

UXOXUHMFQZEAFR-UHFFFAOYSA-N

Boiling Point

477.67°C (rough estimate)

Melting Point

135-140 °C(lit.)

Purity

>98.0%(HPLC)(N)

Density

1.5309 (rough estimate)

Appearance

Light yellow to Yellow to Orange powder to crystal

Refractive Index

1.6000 (estimate)

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

4.5

Hydrogen Bond Donor Count

Hydrogen Bond Acceptor Count

Rotatable Bond Count

Exact Mass

321.941209 g/mol

Monoisotopic Mass

319.944159 g/mol

Topological Polar Surface Area

52Å²

Heavy Atom Count

Formal Charge

Complexity

263

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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Concentration _(final)

Volume _(final)

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2,2',5,5'-Tetrachlorobenzidine

Product Information

Safety Information

Computed Properties

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