Nadic anhydrous - ≥97% , CAS No.826-62-0

CAS: 826-62-0 Cat. No.: N491849 Formula: C₉H₈O₃ Peso molecolare: 164.16 Beilstein Registry Number: 150228 Numero EC: 212-557-9

GRADE & PURITY ≥97%

Synonyms

4,7-Methanoisobenzofuran-1,3-dione, 3a,4,7,7a-tetrahydro-, (3a.alpha.,4.beta.,7.beta.,7a.alpha.)- | cis-5-Norbornene-endo-2,3-dicarboxylic anhydride | Nadic Anhydride (NA) | NCGC00254212-01 | 2-Norbornene-5,6-dicarboxylic anhydride | J-501160 | endo,cis-5

Storage

Argon charged,Room temperature

Shipped In

Normal

Panoramica

 It does not absorb water, soluble in benzene, toluene, acetone, chloroform, etc., and has deliquescence.

Specifications

Sinonimi

4,7-Methanoisobenzofuran-1,3-dione, 3a,4,7,7a-tetrahydro-, (3a.alpha.,4.beta.,7.beta.,7a.alpha.)- | cis-5-Norbornene-endo-2,3-dicarboxylic anhydride | Nadic Anhydride (NA) | NCGC00254212-01 | 2-Norbornene-5,6-dicarboxylic anhydride | J-501160 | endo,cis-5

Specifiche e purezza

≥97%

Condizioni di conservazione di stoccaggio

Argon charged,Room temperature

Spedito in

Normal

Purezza

≥97%

Nomi e identificatori

Pubchem Sid

488181816

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488181816

Sorrisi canonici

C1C2C=CC1C3C2C(=O)OC3=O

IUPAC Name

4-oxatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione

InChIKey

KNDQHSIWLOJIGP-UHFFFAOYSA-N

INCHI

1S/C9H8O3/c10-8-6-4-1-2-5(3-4)7(6)9(11)12-8/h1-2,4-7H,3H2

Isomeri SMILES

C1C2C=CC1C3C2C(=O)OC3=O

WGK Germania

3

RTECS

DT5600000

Peso molecolare

164.16

Beilstein

150228

Reaxy-Rn

150228

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=150228&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Classe Carboxylic acids and derivatives
      • Subclass Dicarboxylic acids and derivatives

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Classe: Carboxylic acids and derivatives
• Subclass: Dicarboxylic acids and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Dicarboxylic acids and derivatives
• Alternative Parents: Tetrahydrofurans Carboxylic acid anhydrides Lactones Oxacyclic compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic heteropolycyclic compounds
• Substituents: Dicarboxylic acid or derivatives - Tetrahydrofuran - Carboxylic acid anhydride - Lactone - Oxacycle - Organoheterocyclic compound - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Aliphatic heteropolycyclic compound
• Descrizione: This compound belongs to the class of organic compounds known as dicarboxylic acids and derivatives. These are organic compounds containing exactly two carboxylic acid groups.
• 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

Proprietà chimiche e fisiche

• Sensibilità: Hygroscopic.
• Punto di fusione (°C): 158-165°C
• Peso molecolare: 164.160 g/mol
• XLogP3: 0.700
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 164.047 Da
• Monoisotopic Mass: 164.047 Da
• Topological Polar Surface Area: 43.400 Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 277.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 4
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1