N-(4-Bromobutyl)phthalimide - ≥98% , CAS No.5394-18-3

CAS: 5394-18-3 Cat. No.: I137265 Fórmula: C₁₂H₁₂BrNO₂ Peso molecular: 282.14 Beilstein Registry Number: 21(3/4)5035 Número CE: 226-401-2

GRADE & PURITY ≥98%

Synonyms

2-(4-bromobutyl)-2,3-dihydro-1H-isoindole-1,3-dione | SR-01000035765-1 | 1-Amino-2-carboxylate-4-nitroanthraquinone | 4-phthalimidobutyl bromide | A23178 | N-[4-(bromo)butyl]phthalimide | Ramor | 2-(4-bromobutyl)-1h -isoindole-1,3(2h)-dione | N-bromobutyl

Storage

Room temperature

Shipped In

Normal

Visão geral

A useful synthesis reagent used to synthesize B-cyclodextrin derivatives.
A useful synthesis reagent used to synthesize B-cyclodextrin derivatives.

Specifications

Sinónimos

2-(4-bromobutyl)-2,3-dihydro-1H-isoindole-1,3-dione | SR-01000035765-1 | 1-Amino-2-carboxylate-4-nitroanthraquinone | 4-phthalimidobutyl bromide | A23178 | N-[4-(bromo)butyl]phthalimide | Ramor | 2-(4-bromobutyl)-1h -isoindole-1,3(2h)-dione | N-bromobutyl

Especificações e pureza

≥98%

Condições de armazenamento de armazenamento

Room temperature

Enviado em

Normal

Pureza

≥98%

Nomes e identificadores

• Pubchem Sid: 488186782
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488186782
• Sorrisos canónicos: C1=CC=C2C(=C1)C(=O)N(C2=O)CCCCBr
• IUPAC Name: 2-(4-bromobutyl)isoindole-1,3-dione
• InChIKey: UXFWTIGUWHJKDD-UHFFFAOYSA-N
• INCHI: 1S/C12H12BrNO2/c13-7-3-4-8-14-11(15)9-5-1-2-6-10(9)12(14)16/h1-2,5-6H,3-4,7-8H2
• SMILES isoméricas: C1=CC=C2C(=C1)C(=O)N(C2=O)CCCCBr
• WGK Alemanha: 3
• Peso molecular: 282.14
• Beilstein: 21(3/4)5035
• Reaxy-Rn: 164119
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=164119&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 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
• Descrição: 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

Mecanismos de ação

Propriedades químicas e físicas

• Solubilidade: Solubility in water: insoluble Solubility in other solvents: soluble in ethanol
• Ponto de fusão (°C): 79 °C
• Peso molecular: 282.130 g/mol
• XLogP3: 3.000
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 4
• Exact Mass: 281.005 Da
• Monoisotopic Mass: 281.005 Da
• Topological Polar Surface Area: 37.400 Ų
• Heavy Atom Count: 16
• Formal Charge: 0
• Complexity: 269.000
• 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

Perguntas frequentes

What is the purity of this product?

This product is supplied at ≥98% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at room temperature.

How is this product shipped?

This product ships under standard ambient conditions. No temperature-controlled packaging is required.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 5394-18-3, the molecular formula is C12H12BrNO2, and the molecular weight is 282.14 g/mol. InChIKey UXFWTIGUWHJKDD-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.