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4-tert-Butylphthalonitrile

Catalog Number
ACM32703803
Product Name
4-tert-Butylphthalonitrile
Structure
CAS
32703-80-3
Category
Phthalonitriles & Naphthalonitriles
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
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