N-Propargylphthalimide - ≥98%(GC) , CAS No.7223-50-9

CAS: 7223-50-9 Cat. No.: N159747 Formule: C₁₁H₇NO₂ Poids moléculaire: 185.18 Numéro CE: 230-621-4

QUALITÉ & PURETÉ ≥98%(GC)

Synonyms

(Phthalimidomethyl)acetylene|2-(prop-2-yn-1-yl)-2,3-dihydro-1H-isoindole-1,3-dione|2-(Prop-2-yn-1-yl)isoindoline-1,3-dione|1H-Isoindole-1, 2-(2-propynyl)-|2-(2-Propynyl)-1H-isoindole-1,3(2H)-dione #|2-(prop-2-ynyl)isoindoline-1,3-dione|Acetic acid,4-xylyl)-|2-(2-Propyn-1-yl)-1H-isoindole-1,3(2H)-dione|N-2-Propynylphthalimide|1-(N-Phthalimido)-2-propyne|N-PROPARGYL PHTHALIMIDE|N-Prop-2-ynylphthalimide|1H-Isoindole-1,3(2H)-dione, 2-(2-propynyl)-|2-(prop-2-yn-1-yl)-1H-isoindole-1,3(2H)-dione|6-methyl-2-acetylpyridine|N-(2-Propynyl)phthalimide|1-(4-hydroxy-3-nitrophenyl)-1-ethanone|Imidazo[1,2-b]pyridazine,6-chloro-|N-Propargylphthalimide|N-propargyl-phthalimide|1H-Isoindole-1,3(2H)-dione, 2-(2-propyn-1-yl)-|N-propargyl phtalimide|2-(2-Propynyl)-1H-isoindole-1,3(2H)-dione|tert-butyl(methyl)sulfane

Storage

Room temperature

Shipped In

Normal

Spécifications

Synonymes

(Phthalimidomethyl)acetylene | 2-(prop-2-yn-1-yl)-2,3-dihydro-1H-isoindole-1,3-dione | 2-(Prop-2-yn-1-yl)isoindoline-1,3-dione | 1H-Isoindole-1, 2-(2-propynyl)- | 2-(2-Propynyl)-1H-isoindole-1,3(2H)-dione # | 2-(prop-2-ynyl)isoindoline-1,3-dione | Acetic acid,4-xylyl)- | 2-(2-Propyn-1-yl)-1H-isoindole-1,3(2H)-dione | N-2-Propynylphthalimi Afficher plus

Spécifications et pureté

≥98%(GC)

Conditions de stockage de stockage

Room temperature

Expédié en

Normal

Pureté

≥98%(GC)

Noms et identifiants

Pubchem Sid

488185990

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488185990

Sourires canoniques

C#CCN1C(=O)C2=CC=CC=C2C1=O

IUPAC Name

2-prop-2-ynylisoindole-1,3-dione

InChIKey

PAZCLCHJOWLTGA-UHFFFAOYSA-N

INCHI

1S/C11H7NO2/c1-2-7-12-10(13)8-5-3-4-6-9(8)11(12)14/h1,3-6H,7H2

Isomères SMILES

C#CCN1C(=O)C2=CC=CC=C2C1=O

WGK Allemagne

3

Poids moléculaire

185.18

Reaxy-Rn

143182

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=143182&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Classe Isoindoles and derivatives
      • Subclass Isoindolines
        • Level5 Isoindolones
          • Level6 Phthalimides

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: Isoindoles and derivatives
• Subclass: Isoindolines
• Intermediate Tree Nodes: Isoindolones
• Direct Parent: Phthalimides
• Alternative Parents: Isoindoles N-substituted carboxylic acid imides Benzenoids Azacyclic compounds Acetylides Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Phthalimide - Isoindole - Carboxylic acid imide, n-substituted - Benzenoid - Carboxylic acid imide - Carboxylic acid derivative - Acetylide - Azacycle - Organooxygen compound - Organonitrogen compound - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as phthalimides. These are aromatic heterocyclic compounds containing a 1,3-dioxoisoindoline moiety. They are imide derivatives of phthalic anhydrides.
• 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

Propriétés chimiques et physiques

• Point de fusion (°C): 153 °C
• Poids moléculaire: 185.180 g/mol
• XLogP3: 1.400
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 185.048 Da
• Monoisotopic Mass: 185.048 Da
• Topological Polar Surface Area: 37.400 Ų
• Heavy Atom Count: 14
• Formal Charge: 0
• Complexity: 301.000
• 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