4-tert-Butylphthalonitrile

• CAS: 32703-80-3
• Catalog Number: ACM32703803
• Category: Other Products
• Molecular Weight: 184.24g/mol
• Molecular Formula: C12H12N2
• 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
• 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
• H-Bond Acceptor: 2
• H-Bond Donor: 0
• Heavy Atom Count: 14
• Monoisotopic Mass: 184.100048g/mol
• Rotatable Bond Count: 1
• Supplemental Hazard Statements: H302+H312+H332-H315-H319
• Symbol: GHS07
• XLogP3: 3

Custom Q&A

What is the molecular formula of 4-tert-Butylphthalonitrile according to the reference?

The molecular formula of 4-tert-Butylphthalonitrile is C12H12N2.

What is the molecular weight of 4-tert-Butylphthalonitrile?

The molecular weight of 4-tert-Butylphthalonitrile is 184.24 g/mol.

What are some synonyms of 4-tert-Butylphthalonitrile mentioned in the reference?

Some synonyms of 4-tert-Butylphthalonitrile include 4-(tert-Butyl)phthalonitrile and 4-tert-butylbenzene-1,2-dicarbonitrile.

When was 4-tert-Butylphthalonitrile first created?

4-tert-Butylphthalonitrile was first created on March 27, 2005.

What is the CAS number of 4-tert-Butylphthalonitrile?

The CAS number of 4-tert-Butylphthalonitrile is 32703-80-3.

What is the InChIKey of 4-tert-Butylphthalonitrile?

The InChIKey of 4-tert-Butylphthalonitrile is LOTMIRVNJTVTSU-UHFFFAOYSA-N.

How many hydrogen bond acceptor counts does 4-tert-Butylphthalonitrile have?

4-tert-Butylphthalonitrile has 2 hydrogen bond acceptor counts.

What is the topological polar surface area of 4-tert-Butylphthalonitrile?

The topological polar surface area of 4-tert-Butylphthalonitrile is 47.6 ƒ¿2.

Is the compound canonicalized according to the reference?

Yes, the compound is canonicalized.

How many defined atom stereocenter counts does 4-tert-Butylphthalonitrile have?

4-tert-Butylphthalonitrile has 0 defined atom stereocenter counts.