3,6-Dibromophthalonitrile

Inquiry

Molecular Formula:

C8H2Br2N2

Molecular Weight:

285.92

CAS Number:

205237-15-6

Catalog Number:

205237-15-6

Product Information

Molecular Formula:

C8H2Br2N2

Molecular Weight:

285.92

IUPAC Name

3,6-dibromobenzene-1,2-dicarbonitrile

Canonical SMILES

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

InChI

InChI=1S/C8H2Br2N2/c9-7-1-2-8(10)6(4-12)5(7)3-11/h1-2H

InChI Key

BPQOZZWMISNVKN-UHFFFAOYSA-N

Purity

97%

Computed Properties

XLogP3

2.7

Hydrogen Bond Donor Count

Hydrogen Bond Acceptor Count

Rotatable Bond Count

Exact Mass

285.85642

Monoisotopic Mass

283.85847

Topological Polar Surface Area

47.6

Heavy Atom Count

Formal Charge

Complexity

231

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-102942504-B	Synthesis method of 3,6-dibromo phthalonitrile	2012-11-08
DE-2250852-A1	PROCESS FOR THE PRODUCTION OF IMINOISOINDOLINONE	1971-10-19
DE-2250852-B2	Process for the preparation of 3-imino-halogen-isoindolin-1 -ones	1971-10-19
US-3887581-A	Process for producing iminoisoindolinone	1971-10-19
US-2198166-A	Arylo-pyrrolinethione compounds and process of producing	1938-09-15

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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3,6-Dibromophthalonitrile

Product Information

Computed Properties

Patents

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