Chlorendic anhydride - ≥95% , CAS No.115-27-5

CAS: 115-27-5 Cat. No.: C129141 Fórmula: C₉H₂Cl₆O₃ Peso molecular: 370.83 Beilstein Registry Number: 92693 Número EC: 204-077-3

CALIDAD & PUREZA ≥95%

Synonyms

HSDB 2920 | NCGC00257993-01 | BRN 0092693 | H0349 | (4-CYANO-PHENYL)-PHOSPHONICACID | CAS-115-27-5 | 4,3-dione, 4,5,6,7,8,8-hexachloro-3a,4,7,7a-tetrahydro- | 1,7,8,9,10,10-hexachloro-4-oxatricyclo[5.2.1.0,dec-8-ene-3,5-dione | F71249 | STL573382 | FLBJFX

Storage

Room temperature,Argon charged

Shipped In

Normal

Especificaciones

Sinónimos

HSDB 2920 | NCGC00257993-01 | BRN 0092693 | H0349 | (4-CYANO-PHENYL)-PHOSPHONICACID | CAS-115-27-5 | 4,3-dione, 4,5,6,7,8,8-hexachloro-3a,4,7,7a-tetrahydro- | 1,7,8,9,10,10-hexachloro-4-oxatricyclo[5.2.1.0,dec-8-ene-3,5-dione | F71249 | STL573382 | FLBJFX

Especificaciones y pureza

≥95%

Condiciones de almacenamiento de almacenamiento

Room temperature,Argon charged

Enviado en

Normal

Pureza

≥95%

Nombres e identificadores

Pubchem Sid

504751639

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504751639

Sonrisas canónicas

C12C(C(=O)OC1=O)C3(C(=C(C2(C3(Cl)Cl)Cl)Cl)Cl)Cl

IUPAC Name

1,7,8,9,10,10-hexachloro-4-oxatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione

InChIKey

FLBJFXNAEMSXGL-UHFFFAOYSA-N

INCHI

1S/C9H2Cl6O3/c10-3-4(11)8(13)2-1(5(16)18-6(2)17)7(3,12)9(8,14)15/h1-2H

Isómeros SMILES

C12C(C(=O)OC1=O)C3(C(=C(C2(C3(Cl)Cl)Cl)Cl)Cl)Cl

WGK Alemania

1

RTECS

RB9080000

Peso molecular

370.83

Beilstein

92693

Reaxy-Rn

307692

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=307692&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Clase: 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 Vinyl chlorides Oxacyclic compounds Chloroalkenes Organochlorides Organic oxides Hydrocarbon derivatives Carbonyl compounds Alkyl chlorides
• Molecular Framework: Aliphatic heteropolycyclic compounds
• Substituents: Dicarboxylic acid or derivatives - Carboxylic acid anhydride - Tetrahydrofuran - Lactone - Oxacycle - Chloroalkene - Haloalkene - Organoheterocyclic compound - Vinyl halide - Vinyl chloride - Organic oxide - Organooxygen compound - Organochloride - Organohalogen compound - Alkyl chloride - Organic oxygen compound - Carbonyl group - Alkyl halide - Hydrocarbon derivative - Aliphatic heteropolycyclic compound
• Descripción: 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

Propiedades químicas y físicas

• Solubilidad: Slightly soluble in water; Soluble in Acetone,Toluene,Benzene
• Sensibilidad: Moisture & Heat sensitive
• Punto de fusión (°C): 235-239°C
• Peso molecular: 370.800 g/mol
• XLogP3: 2.400
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 369.811 Da
• Monoisotopic Mass: 367.814 Da
• Topological Polar Surface Area: 43.400 Ų
• Heavy Atom Count: 18
• Formal Charge: 0
• Complexity: 498.000
• 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

Preguntas frecuentes

What is the purity of this product?

This product is supplied at ≥95% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at room temperature under argon. It is supplied under an argon blanket; reseal under inert gas after each use.

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 115-27-5, the molecular formula is C9H2Cl6O3, and the molecular weight is 370.83 g/mol. InChIKey FLBJFXNAEMSXGL-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.