Crotonic Anhydride - ≥95%, Mixture of cis and trans isomers , CAS No.623-68-7

CAS: 623-68-7 Cat. No.: C135228 Fórmula: C₈H₁₀O₃ Peso molecular: 154.17 Número EC: 210-807-1

CALIDAD & PUREZA ≥95%, Mixture of cis and trans isomers

Synonyms

(E)-but-2-enoic acid [(E)-but-2-enoyl] ester | Anhydrid kyseliny krotonove [Czech] | Tungsten Standard: W @ 10000 microg/mL in H2O | Crotonic acid anhydride | Anhydrid kyseliny krotonove | CROTONIC ANHYDRIDE | 2-Butenoic acid, 1,1'-anhydride | AKOS0159127

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Descripción general

Crotonic anhydride is also known as 2-butenoic anhydride is commonly used as a precursor in the synthesis of polymers. Its reactive anhydride group makes it an effective acylating agent in esterification reactions, facilitating the formation of esters by reacting with alcohols.

Especificaciones

Sinónimos

(E)-but-2-enoic acid [(E)-but-2-enoyl] ester | Anhydrid kyseliny krotonove [Czech] | Tungsten Standard: W @ 10000 microg/mL in H2O | Crotonic acid anhydride | Anhydrid kyseliny krotonove | CROTONIC ANHYDRIDE | 2-Butenoic acid, 1,1'-anhydride | AKOS0159127

Especificaciones y pureza

≥95%, Mixture of cis and trans isomers

Condiciones de almacenamiento de almacenamiento

Store at 2-8°C,Argon charged

Enviado en

Wet ice

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Pureza

≥95%

Nombres e identificadores

Pubchem Sid

504763993

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504763993

Sonrisas canónicas

CC=CC(=O)OC(=O)C=CC

IUPAC Name

[(E)-but-2-enoyl] (E)-but-2-enoate

InChIKey

VJDDQSBNUHLBTD-GGWOSOGESA-N

INCHI

1S/C8H10O3/c1-3-5-7(9)11-8(10)6-4-2/h3-6H,1-2H3/b5-3+,6-4+

Isómeros SMILES

C/C=C/C(=O)OC(=O)/C=C/C

CAS alternativo

78957-07-0

Peso molecular

154.17

Reaxy-Rn

386026

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=386026&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: Carboxylic acid anhydrides Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Dicarboxylic acid or derivatives - Carboxylic acid anhydride - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Aliphatic acyclic 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: Soluble in ether
• Sensibilidad: Moisture sensitive.
• Índice de refracción: 1.48
• Punto de ebullición (°C): 131 °C/20 mmHg
• Peso molecular: 154.160 g/mol
• XLogP3: 1.500
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 154.063 Da
• Monoisotopic Mass: 154.063 Da
• Topological Polar Surface Area: 43.400 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 179.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 2
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 2
• Covalently-Bonded Unit Count: 1