3,4-Diamino Benzophenone

Inquiry

Molecular Formula:

C13H12N2O

Molecular Weight:

212.25

CAS Number:

39070-63-8

Catalog Number:

39070-63-8

Product Information

Molecular Formula:

C13H12N2O

Molecular Weight:

212.25

Description

3,4-Diamino Benzophenone is used in the synthesis of 2-Amino-5(6)-benzoylbenzimidazole. It is also a impurity of Mebendazole.

Synonyms

(3,4-Diaminophenyl)phenylmethanone; 4-benzoyl-o-phenylenediamine; 1,2-Diamino-4-(phenylcarbonyl)benzene; 2-Amino-4-benzoylaniline; p-Benzoyl-o-phenylenediamine

IUPAC Name

(3,4-diaminophenyl)-phenylmethanone

Canonical SMILES

C1=CC=C(C=C1)C(=O)C2=CC(=C(C=C2)N)N

InChI

InChI=1S/C13H12N2O/c14-11-7-6-10(8-12(11)15)13(16)9-4-2-1-3-5-9/h1-8H,14-15H2

InChI Key

RXCOGDYOZQGGMK-UHFFFAOYSA-N

Boiling Point

352.09°C (rough estimate)

Melting Point

115-117°C

Purity

> 95%

Density

1.1128 (rough estimate)

Appearance

dark yellow powder

Storage

Store below +30°C.

Refractive Index

1.6920 (estimate)

Safety Information

Hazards

H315 - H319 - H335

Precautionary Statement

P302 + P352 - P305 + P351 + P338

Computed Properties

XLogP3

Hydrogen Bond Donor Count

Hydrogen Bond Acceptor Count

Rotatable Bond Count

Exact Mass

212.094963011 g/mol

Monoisotopic Mass

212.094963011 g/mol

Topological Polar Surface Area

69.1Å²

Heavy Atom Count

Formal Charge

Complexity

248

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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3,4-Diamino Benzophenone

Product Information

Safety Information

Computed Properties

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