(E)-4-Chlorobut-2-enoic acid - ≥95% , CAS No.26340-58-9

CAS: 26340-58-9 Cat. No.: E588482 Formule: C₄H₅O₂Cl Poids moléculaire: 120.53

GRADE & PURITY ≥95%

Synonyms

4-CHLOROCROTONIC ACID | SCHEMBL900335 | AS-30049 | (E)-4-chlorobut-2-enoic acid | 4-Chlorobut-2-enoic acid | MFCD19228094 | AKOS006377027 | AMMA-CHLOROCROTONICACID | 2-Butenoic acid, 4-chloro- | 4-Chlorobut-2-enoicacid | 4-?Chloro-?2-?butenoic acid | GAMM

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Specifications

Synonymes

4-CHLOROCROTONIC ACID | SCHEMBL900335 | AS-30049 | (E)-4-chlorobut-2-enoic acid | 4-Chlorobut-2-enoic acid | MFCD19228094 | AKOS006377027 | AMMA-CHLOROCROTONICACID | 2-Butenoic acid, 4-chloro- | 4-Chlorobut-2-enoicacid | 4-?Chloro-?2-?butenoic acid | GAMM

Spécifications et pureté

≥95%

Conditions de stockage de stockage

Store at 2-8°C,Argon charged

Expédié en

Wet ice

Ce produit nécessite l'expédition en chaîne froide. Les services terrestres et autres services économiques ne sont pas disponibles.

Pureté

≥95%

Noms et identifiants

Sourires canoniques

C(C=CC(=O)O)Cl

IUPAC Name

(E)-4-chlorobut-2-enoic acid

InChIKey

TVOMCUWVZVBDBG-OWOJBTEDSA-N

INCHI

1S/C4H5ClO2/c5-3-1-2-4(6)7/h1-2H,3H2,(H,6,7)/b2-1+

Isomères SMILES

C(/C=C/C(=O)O)Cl

CAS alternatif

16197-90-3

Poids moléculaire

120.53

Reaxy-Rn

1743364

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1743364&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Lipids and lipid-like molecules
    • Classe Fatty Acyls
      • Subclass Fatty acids and conjugates

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• Classe: Fatty Acyls
• Subclass: Fatty acids and conjugates
• Intermediate Tree Nodes: Not available
• Direct Parent: Halogenated fatty acids
• Alternative Parents: Unsaturated fatty acids Straight chain fatty acids Monocarboxylic acids and derivatives Carboxylic acids Organochlorides Organic oxides Hydrocarbon derivatives Carbonyl compounds Alkyl chlorides
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Halogenated fatty acid - Straight chain fatty acid - Unsaturated fatty acid - Carboxylic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Organochloride - Organohalogen compound - Alkyl halide - Organic oxygen compound - Alkyl chloride - Carbonyl group - Organooxygen compound - Organic oxide - Hydrocarbon derivative - Aliphatic acyclic compound
• Description: This compound belongs to the class of organic compounds known as halogenated fatty acids. These are fatty acids with a chain that carries a halogen atom (Cl,F,I,Br).
• 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

Propriétés chimiques et physiques

• Poids moléculaire: 120.530 g/mol
• XLogP3: 0.600
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 119.998 Da
• Monoisotopic Mass: 119.998 Da
• Topological Polar Surface Area: 37.300 Ų
• Heavy Atom Count: 7
• Formal Charge: 0
• Complexity: 87.700
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 1
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 1
• Covalently-Bonded Unit Count: 1