4-Pentyloxyphthalonitrile - ≥98% , CAS No.106943-83-3

CAS: 106943-83-3 Cat. No.: P160096 Formula: C₁₃H₁₄N₂O Peso molecolare: 214.27 Numero EC: 679-836-9 PubChem CID: 537786

GRADE & PURITY ≥98%

Synonyms

4-pentoxybenzene-1,2-dicarbonitrile | 4-(pentyloxy)benzene-1,2-dicarbonitrile | A911263 | 4-N-Pentyloxyphthalonitrile | 1,2-Dicyano-4-pentyloxybenzene | AS-59123 | SCHEMBL12190723 | 4-(Pentyloxy)phthalonitrile | 4-Amyloxyphthalonitrile | FT-0760305 | 4-pe

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

Sinonimi

4-pentoxybenzene-1,2-dicarbonitrile | 4-(pentyloxy)benzene-1,2-dicarbonitrile | A911263 | 4-N-Pentyloxyphthalonitrile | 1,2-Dicyano-4-pentyloxybenzene | AS-59123 | SCHEMBL12190723 | 4-(Pentyloxy)phthalonitrile | 4-Amyloxyphthalonitrile | FT-0760305 | 4-pe

Specifiche e purezza

≥98%

Condizioni di conservazione di stoccaggio

Store at 2-8°C

Spedito in

Wet ice

Questo prodotto richiede spedizione a catena fredda. I servizi di terra e altri servizi economici non sono disponibili.

Purezza

≥98%

Nomi e identificatori

Pubchem Sid

488190185

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488190185

Sorrisi canonici

CCCCCOC1=CC(=C(C=C1)C#N)C#N

IUPAC Name

4-pentoxybenzene-1,2-dicarbonitrile

InChIKey

LEYRHJFOAFEIDH-UHFFFAOYSA-N

INCHI

1S/C13H14N2O/c1-2-3-4-7-16-13-6-5-11(9-14)12(8-13)10-15/h5-6,8H,2-4,7H2,1H3

Isomeri SMILES

CCCCCOC1=CC(=C(C=C1)C#N)C#N

PubChem CID

537786

Peso molecolare

214.27

Reaxy-Rn

8261420

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Classe Phenol ethers

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: Phenol ethers
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenol ethers
• Alternative Parents: Phenoxy compounds Benzonitriles Alkyl aryl ethers Nitriles Organopnictogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Phenoxy compound - Phenol ether - Benzonitrile - Alkyl aryl ether - Monocyclic benzene moiety - Nitrile - Carbonitrile - Ether - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Aromatic homomonocyclic compound
• Descrizione: This compound belongs to the class of organic compounds known as phenol ethers. These are aromatic compounds containing an ether group substituted with a benzene ring.
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Proprietà chimiche e fisiche

• Solubilità: Soluble in Methanol
• Sensibilità: light sensitive
• Punto di fusione (°C): 35 °C
• Peso molecolare: 214.260 g/mol
• XLogP3: 3.100
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 5
• Exact Mass: 214.111 Da
• Monoisotopic Mass: 214.111 Da
• Topological Polar Surface Area: 56.800 Ų
• Heavy Atom Count: 16
• Formal Charge: 0
• Complexity: 296.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1