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4-tert-Butylphthalonitrile

4-tert-Butylphthalonitrile

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Catalog Number

ACM32703803

CAS Number

32703-80-3

Product Name

4-tert-Butylphthalonitrile

Category

Phthalonitriles & Naphthalonitriles; Phthalocyanine Building Blocks

Synonyms

SALOR-INT L161683-1EA;4-TERT-BUTYLPHTHALONITRILE;4-TERT-BUTYLPHTALONITRILE;4-TERT-BUTYL-1,2-DICYANOBENZENE;4-(1,1-dimethylethyl)benzene-1,2-dicarbonitrile ;4-tert-Butylphthalodinitrile;4-TERT-BUTYLPHTHALONITRILE, 97+%;4-tert-Butyl-1,2-benzenedicarbonitrile

IUPAC Name

4-tert-butylbenzene-1,2-dicarbonitrile

Molecular Weight

184.24g/mol

Molecular Formula

C12H12N2

Canonical SMILES

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

InChI

InChI=1S/C12H12N2/c1-12(2,3)11-5-4-9(7-13)10(6-11)8-14/h4-6H,1-3H3

InChI Key

LOTMIRVNJTVTSU-UHFFFAOYSA-N

Boiling Point

165-168°C6mm Hg(lit.)

Melting Point

49-51°C(lit.)

Density

1.04±0.1 g/cm³ (20 ºC 760 Torr)

Complexity

293

Covalently-Bonded Unit Count

1

EC Number

251-166-8

Exact Mass

184.100048g/mol

Formal Charge

0

Heavy Atom Count

14

Monoisotopic Mass

184.100048g/mol

Rotatable Bond Count

1

Supplemental Hazard Statements

H302+H312+H332-H315-H319

XLogP3

3

MSDS

COA

Spec Sheet

Download Spec Sheet

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