Chloroacetic acid(CAA) - ≥99% , CAS No.79-11-8

CAS: 79-11-8 Cat. No.: C485697 Formule: C₂H₃ClO₂ Poids moléculaire: 94.5 Beilstein Registry Number: 605438 Numéro CE: 201-178-4

GRADE & PURITY ≥99%

Synonyms

Monochloroacetic acid

Storage

Room temperature,Argon charged

Shipped In

FedEx DG Service

Vue d’ensemble

Chloroacetic acid (CAA, monochloroacetic acid, MCAA) is a halogenated aliphatic carboxylic acid generally used as herbicide and preservative. Its mutagenic effects have been studied in Rattus norvegicus. The rate of degradation of MCA by photocatalysis using TiO2 at pH3 is reported to be enhanced under the influence of ozone. CAA is an irritant that hydrolyzes proteins resulting in degradation of the cells. This property has been applied in treating plantar warts.

Specifications

Synonymes

Monochloroacetic acid

Spécifications et pureté

≥99%

Conditions de stockage de stockage

Room temperature,Argon charged

Expédié en

FedEx DG Service

Pureté

≥99%

Noms et identifiants

Pubchem Sid

488179508

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488179508

Sourires canoniques

C(C(=O)O)Cl

IUPAC Name

2-chloroacetic acid

InChIKey

FOCAUTSVDIKZOP-UHFFFAOYSA-N

INCHI

1S/C2H3ClO2/c3-1-2(4)5/h1H2,(H,4,5)

Isomères SMILES

C(C(=O)O)Cl

WGK Allemagne

2

RTECS

AF8575000

Numéro ONU

1751

Groupe d'emballage

II

Poids moléculaire

94.5

Beilstein

605438

Reaxy-Rn

605438

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=605438&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Classe Carboxylic acids and derivatives
      • Subclass Alpha-halocarboxylic acids and derivatives

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Classe: Carboxylic acids and derivatives
• Subclass: Alpha-halocarboxylic acids and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Alpha-halocarboxylic acids
• Alternative Parents: Monocarboxylic acids and derivatives Carboxylic acids Organochlorides Organic oxides Hydrocarbon derivatives Carbonyl compounds Alkyl chlorides
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Alpha-halocarboxylic acid - Monocarboxylic acid or derivatives - Carboxylic acid - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organochloride - Organohalogen compound - Carbonyl group - Alkyl halide - Alkyl chloride - Aliphatic acyclic compound
• Description: This compound belongs to the class of organic compounds known as alpha-halocarboxylic acids. These are carboxylic acids containing a halogen atom bonded to the alpha carbon atom.
• External Descriptors: Halogenated fatty acids

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

Cibles associées (humaines)

TSHR Tclin Thyroid stimulating hormone receptor (29986 Activities)

Discover Target: TSHR

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Cibles associées (non humaines)

Salmonella typhimurium (15756 Activities)

Explore this target

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mécanismes d'action

Propriétés chimiques et physiques

• Solubilité: Completely dissolved in water; Soluble in ether, alcohol
• Sensibilité: Air and moisture sensitive
• Indice de réfraction: 1.433
• Point d'ébullition (°C): 189°C
• Point de fusion (°C): 60-66℃
• Poids moléculaire: 94.500 g/mol
• XLogP3: 0.200
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 93.9822 Da
• Monoisotopic Mass: 93.9822 Da
• Topological Polar Surface Area: 37.300 Ų
• Heavy Atom Count: 5
• Formal Charge: 0
• Complexity: 42.900
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1