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

CAS: 623-68-7 Cat. No.: C135228 Molecular Weight: 154.17 EC Number: 210-807-1

GRADE & PURITY ≥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

Overview

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.

Specifications

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

Specifications & Purity

≥95%, Mixture of cis and trans isomers

Storage

Store at 2-8°C, Argon charged

Shipped In

Wet ice

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥95%

Names and Identifiers

• Pubchem Sid: 504763993
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504763993
• Canonical Smiles: 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+
• Isomeric SMILES: C/C=C/C(=O)OC(=O)/C=C/C
• Alternate CAS: 78957-07-0
• Molecular Weight: 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
    • Class Carboxylic acids and derivatives
      • Subclass Dicarboxylic acids and derivatives

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Class: 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
• Description: 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

Chemical and Physical Properties

• Solubility: Soluble in ether
• Sensitivity: Moisture sensitive.
• Refractive Index: 1.48
• Boil Point(°C): 131 °C/20 mmHg
• Molecular Weight: 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