4-Nitro-N-phenylphthalimide - ≥98% , CAS No.40392-27-6

CAS: 40392-27-6 Cat. No.: N158896 Formula: C₁₄H₈N₂O₄ Peso molecolare: 268.23 Beilstein Registry Number: 21(5)11,159 Numero EC: 651-239-8

GRADE & PURITY ≥98%

Synonyms

CCG-353873 | HNNCFMUZZXJQLR-UHFFFAOYSA-N | SB65580 | 5-Nitro-2-phenylisoindoline-1,3-dione | SR-01000391092-1 | EU-0033650 | N-Phenyl-4-nitrophthalimid | 5-nitro-2-phenyl-1H-isoindole-1,3(2H)-dione | Oprea1_288736 | D91733 | 5-nitro-2-phenyl-2,3-dihydro-1

Storage

Room temperature

Shipped In

Normal

Specifications

Sinonimi

CCG-353873 | HNNCFMUZZXJQLR-UHFFFAOYSA-N | SB65580 | 5-Nitro-2-phenylisoindoline-1,3-dione | SR-01000391092-1 | EU-0033650 | N-Phenyl-4-nitrophthalimid | 5-nitro-2-phenyl-1H-isoindole-1,3(2H)-dione | Oprea1_288736 | D91733 | 5-nitro-2-phenyl-2,3-dihydro-1

Specifiche e purezza

≥98%

Condizioni di conservazione di stoccaggio

Room temperature

Spedito in

Normal

Purezza

≥98%

Nomi e identificatori

Pubchem Sid

488191438

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488191438

Sorrisi canonici

C1=CC=C(C=C1)N2C(=O)C3=C(C2=O)C=C(C=C3)[N+](=O)[O-]

IUPAC Name

5-nitro-2-phenylisoindole-1,3-dione

InChIKey

HNNCFMUZZXJQLR-UHFFFAOYSA-N

INCHI

1S/C14H8N2O4/c17-13-11-7-6-10(16(19)20)8-12(11)14(18)15(13)9-4-2-1-3-5-9/h1-8H

Isomeri SMILES

C1=CC=C(C=C1)N2C(=O)C3=C(C2=O)C=C(C=C3)[N+](=O)[O-]

Peso molecolare

268.23

Beilstein

21(5)11,159

Reaxy-Rn

249167

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=249167&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 Nitroaromatic compounds N-substituted carboxylic acid imides Benzene and substituted derivatives Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Phthalimide - Isoindole - Nitroaromatic compound - Monocyclic benzene moiety - Carboxylic acid imide, n-substituted - Benzenoid - Carboxylic acid imide - C-nitro compound - Organic nitro compound - Carboxylic acid derivative - Organic oxoazanium - Azacycle - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Organic nitrogen compound - Hydrocarbon derivative - Organonitrogen compound - Organooxygen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Aromatic heteropolycyclic compound
• Descrizione: 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

Obiettivi associati (umani)

GBA1 Tclin Beta-glucocerebrosidase (14647 Activities)

Discover Target: GBA1

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Meccanismi d'azione

Proprietà chimiche e fisiche

• Punto di fusione (°C): 187 °C
• Peso molecolare: 268.220 g/mol
• XLogP3: 2.200
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 268.048 Da
• Monoisotopic Mass: 268.048 Da
• Topological Polar Surface Area: 83.200 Ų
• Heavy Atom Count: 20
• Formal Charge: 0
• Complexity: 439.000
• 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

Domande frequenti

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 40392-27-6, the molecular formula is C14H8N2O4, and the molecular weight is 268.23 g/mol. InChIKey HNNCFMUZZXJQLR-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.