4-Bromo-N-methylphthalimide - ≥98%(GC) , CAS No.90224-73-0

CAS: 90224-73-0 Cat. No.: B151936 Summenformel: C₉H₆BrNO₂ Molekulargewicht: 240.06 Beilstein Registry Number: 21(4)5409 EG-Nummer: 679-566-1

GRADE & PURITY ≥98%(GC)

Synonyms

5-bromo-2-methyl-1h-isoindole-1,3(2h)-dione | SR-01000200257 | 5-bromo-2-methyl-2,3-dihydro-1H-isoindole-1,3-dione | 5-Bromo-2-methyl-isoindole-1,3-dione | 5-bromo-2-methylisoindole-1,3-dione | 4-Bromo-N-methylphthalimide | 1H-Isoindole-1,3(2H)-dione, 5-b

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyme

5-bromo-2-methyl-1h-isoindole-1,3(2h)-dione | SR-01000200257 | 5-bromo-2-methyl-2,3-dihydro-1H-isoindole-1,3-dione | 5-Bromo-2-methyl-isoindole-1,3-dione | 5-bromo-2-methylisoindole-1,3-dione | 4-Bromo-N-methylphthalimide | 1H-Isoindole-1,3(2H)-dione, 5-b

Spezifikationen & Reinheit

≥98%(GC)

Storage

Room temperature

Verschickt in

Normal

Reinheit

≥98%(GC)

Namen und Kennungen

Pubchem Sid

528760676

Kanonisches Lächeln

CN1C(=O)C2=C(C1=O)C=C(C=C2)Br

IUPAC Name

5-bromo-2-methylisoindole-1,3-dione

InChIKey

BEIQHTQYTDPHLX-UHFFFAOYSA-N

INCHI

1S/C9H6BrNO2/c1-11-8(12)6-3-2-5(10)4-7(6)9(11)13/h2-4H,1H3

Isomere SMILES

CN1C(=O)C2=C(C1=O)C=C(C=C2)Br

Molekulargewicht

240.06

Beilstein

21(4)5409

Reaxy-Rn

141005

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=141005&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Klasse Isoindoles and derivatives
      • Subclass Isoindolines
        • Ebene5 Isoindolones
          • Ebene6 Phthalimides

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Klasse: Isoindoles and derivatives
• Subclass: Isoindolines
• Intermediate Tree Nodes: Isoindolones
• Direct Parent: Phthalimides
• Alternative Parents: Isoindoles N-substituted carboxylic acid imides Benzenoids Aryl bromides Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Organobromides Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Phthalimide - Isoindole - Aryl bromide - Aryl halide - Benzenoid - Carboxylic acid imide, n-substituted - Carboxylic acid imide - Carboxylic acid derivative - Azacycle - Organic nitrogen compound - Organonitrogen compound - Organobromide - Organohalogen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Aromatic heteropolycyclic compound
• Beschreibung: 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

Chemische und physikalische Eigenschaften

• Schmelzpunkt (°C): 147.0 to 151.0 °C
• Molekulargewicht: 240.050 g/mol
• XLogP3: 2.000
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 238.958 Da
• Monoisotopic Mass: 238.958 Da
• Topological Polar Surface Area: 37.400 Ų
• Heavy Atom Count: 13
• Formal Charge: 0
• Complexity: 266.000
• 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