CAS 51762-67-5 3-Nitrophthalonitrile - Materials / Alfa Chemistry

NAVIGATION

3-Nitrophthalonitrile

PRICE INQUIRY

Catalog Number

ACM51762675-2

CAS Number

51762-67-5

Product Name

3-Nitrophthalonitrile

Category

Phthalonitriles & Naphthalonitriles; Phthalocyanine Building Blocks

IUPAC Name

3-nitrobenzene-1,2-dicarbonitrile

Molecular Weight

173.13g/mol

Molecular Formula

C8H3N3O2

Canonical SMILES

C1=CC(=C(C(=C1)[N+](=O)[O-])C#N)C#N

InChI

InChI=1S/C8H3N3O2/c9-4-6-2-1-3-8(11(12)13)7(6)5-10/h1-3H

InChI Key

UZJZIZFCQFZDHP-UHFFFAOYSA-N

Purity

>98.0%(GC)

Application

3-Nitrophthalonitrile, a light yellow powder, serves multiple purposes across various industries. It plays a crucial role in the production of solar cells and in the manufacture of dyes and metabolites. Additionally, as a nitrile derivative, it is utilized as an intermediary in the synthesis of pesticides and pharmaceuticals. Furthermore, it is a key intermediate compound in the creation of nitrophthalocyanine, nitrometallophthalocyanine, and other phthalocyanine derivatives, underscoring its importance in chemical synthesis.

Complexity

302

Covalently-Bonded Unit Count

EC Number

450-650-8;610-727-0

Exact Mass

173.022526g/mol

Formal Charge

Heavy Atom Count

Monoisotopic Mass

173.022526g/mol

Rotatable Bond Count