CAS 91-15-6 Phthalonitrile - Materials / Alfa Chemistry

NAVIGATION

Phthalonitrile

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Catalog Number

ACM91156-1

CAS Number

91-15-6

Product Name

Phthalonitrile

Structure

Category

Phthalonitriles & Naphthalonitriles; Phthalocyanine Building Blocks

Synonyms

1,2-Dicyanobenzene; Benzene-1,2-dicarbonitrile

Description

Liquid; OtherSolid;YELLOW CRYSTALLINE POWDER WITH CHARACTERISTIC ODOUR.

IUPAC Name

benzene-1,2-dicarbonitrile

Molecular Weight

128.13

Molecular Formula

C8H4N2

Canonical SMILES

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

InChI

InChI=1S/C8H4N2/c9-5-7-3-1-2-4-8(7)6-10/h1-4H

InChI Key

XQZYPMVTSDWCCE-UHFFFAOYSA-N

Boiling Point

304.5 °C

Melting Point

140.0 °C

Flash Point

162 °C

Purity

95%+

Density

1.238 g/cu cm;1.24 g/cm³

Solubility

0.00 M;Soluble in alcohol and ether;Soluble in acetone and benzene.;In water, 395 mg/l @ 25 °C.;Solubility in water, g/100ml at 25 °C: 0.06

Appearance

Solid

Application

Phthalonitrile serves as an essential intermediate in the realm of chemical synthesis, particularly in the production of foundational compounds for a variety of applications including colorants, coatings, and agricultural chemicals. Its unique properties make it an ideal precursor for creating phthalocyanine pigments, which are instrumental in producing the iconic blue dye used in jeans. Additionally, phthalonitrile is crucial in synthesizing fluorescent brighteners and photographic sensitizers, further underscoring its versatility and importance in multiple industries.

Color/Form

NEEDLES FROM WATER OR PETROLEUM ETHER;Buff-colored crystals;Faint grayish yellow

Complexity

178

Covalently-Bonded Unit Count

EC Number

202-044-8

Exact Mass

128.037448g/mol

Formal Charge

Heat of Vaporization

67 kJ/mol