N-(6-Bromohexyl)phthalimide - ≥98% , CAS No.24566-79-8

CAS: 24566-79-8 Cat. No.: N159506 Molecular Weight: 310.19 EC Number: 674-071-7

GRADE & PURITY ≥98%

Synonyms

2-(6-bromohexyl)isoindole-1,3-dione | 1H-Isoindole-1,3(2H)-dione, 2-(6-bromohexyl)- | 2-(6-Bromohexyl)-1H-isoindole-1,3(2H)-dione | MFCD00023098 | 2-(6-Bromohexyl)isoindoline-1,3-dione | N-(6-Bromohexyl)phthalimide | 2-(6-bromohexyl)-2,3-dihydro-1h-isoind

Storage

Room temperature

Shipped In

Normal

Overview

N-(6-Bromohexyl)phthalimide is used as a pharmaceutical intermediate and in organic synthesis.

Specifications

Synonyms

2-(6-bromohexyl)isoindole-1, 3-dione | 1H-Isoindole-1, 3(2H)-dione, 2-(6-bromohexyl)- | 2-(6-Bromohexyl)-1H-isoindole-1, 3(2H)-dione | MFCD00023098 | 2-(6-Bromohexyl)isoindoline-1, 3-dione | N-(6-Bromohexyl)phthalimide | 2-(6-bromohexyl)-2, 3-dihydro-1h-isoind

Specifications & Purity

≥98%

Storage

Room temperature

Shipped In

Normal

Purity

≥98%

Names and Identifiers

• Pubchem Sid: 488188102
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488188102
• Canonical Smiles: C1=CC=C2C(=C1)C(=O)N(C2=O)CCCCCCBr
• IUPAC Name: 2-(6-bromohexyl)isoindole-1,3-dione
• InChIKey: OAZFTIPKNPTDIO-UHFFFAOYSA-N
• INCHI: 1S/C14H16BrNO2/c15-9-5-1-2-6-10-16-13(17)11-7-3-4-8-12(11)14(16)18/h3-4,7-8H,1-2,5-6,9-10H2
• Isomeric SMILES: C1=CC=C2C(=C1)C(=O)N(C2=O)CCCCCCBr
• Molecular Weight: 310.19
• Reaxy-Rn: 186875
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=186875&ln=

Taxonomic Classification

Taxonomy Tree

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

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

Chemical and Physical Properties

• Solubility: Insoluble in water.
• Boil Point(°C): 188°C/0.4mmHg(lit.)
• Melt Point(°C): 58 °C
• Molecular Weight: 310.190 g/mol
• XLogP3: 3.700
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 6
• Exact Mass: 309.036 Da
• Monoisotopic Mass: 309.036 Da
• Topological Polar Surface Area: 37.400 Ų
• Heavy Atom Count: 18
• Formal Charge: 0
• Complexity: 295.000
• 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