2-(2-Chlorophenoxy)propionic Acid - ≥98% , CAS No.25140-86-7

CAS: 25140-86-7 Cat. No.: C153835 Formule: C₉H₉ClO₃ Poids moléculaire: 200.62 Beilstein Registry Number: 6(3)678 Numéro CE: 679-620-4

GRADE & PURITY ≥98%

Synonyms

Propionic acid, 2-(o-chlorophenoxy)- (6CI,7CI,8CI); (RS)-2-(2-Chlorophenoxy)propionic acid; (+/-)-2-(2-Chlorophenoxy)propanoic acid; (+/-)-2-(2-Chlorophenoxy)propionic acid; 2-(2-Chlorophenoxy)propionic acid; 2-(o-Chlorophenoxy)propionic acid | AKOS016844

Storage

Room temperature

Shipped In

Normal

Specifications

Synonymes

Propionic acid, 2-(o-chlorophenoxy)- (6CI,7CI,8CI); (RS)-2-(2-Chlorophenoxy)propionic acid; (+/-)-2-(2-Chlorophenoxy)propanoic acid; (+/-)-2-(2-Chlorophenoxy)propionic acid; 2-(2-Chlorophenoxy)propionic acid; 2-(o-Chlorophenoxy)propionic acid | AKOS016844

Spécifications et pureté

≥98%

Conditions de stockage de stockage

Room temperature

Expédié en

Normal

Pureté

≥98%

Noms et identifiants

• Pubchem Sid: 488184723
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488184723
• Sourires canoniques: CC(C(=O)O)OC1=CC=CC=C1Cl
• IUPAC Name: 2-(2-chlorophenoxy)propanoic acid
• InChIKey: ZGWNXHRVUJVMCP-UHFFFAOYSA-N
• INCHI: 1S/C9H9ClO3/c1-6(9(11)12)13-8-5-3-2-4-7(8)10/h2-6H,1H3,(H,11,12)
• Isomères SMILES: CC(C(=O)O)OC1=CC=CC=C1Cl
• RTECS: UE9350000
• Poids moléculaire: 200.62
• Beilstein: 6(3)678
• Reaxy-Rn: 2263916
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2263916&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Classe Benzene and substituted derivatives
      • Subclass 2-phenoxypropionic acids

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: Benzene and substituted derivatives
• Subclass: 2-phenoxypropionic acids
• Intermediate Tree Nodes: Not available
• Direct Parent: 2-phenoxypropionic acids
• Alternative Parents: Phenoxyacetic acid derivatives Phenoxy compounds Phenol ethers Chlorobenzenes Alkyl aryl ethers Aryl chlorides Monocarboxylic acids and derivatives Carboxylic acids Organochlorides Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: 2-phenoxypropionic acid - Phenoxyacetate - Phenoxy compound - Phenol ether - Alkyl aryl ether - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Carboxylic acid derivative - Carboxylic acid - Ether - Monocarboxylic acid or derivatives - Organooxygen compound - Organic oxygen compound - Carbonyl group - Organic oxide - Organochloride - Hydrocarbon derivative - Organohalogen compound - Aromatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as 2-phenoxypropionic acids. These are aromatic compounds hat contain a phenol ether attached to the C2-atom of a phenylpropionic acid.
• 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

• Solubilité: Solubility in Methanol very faint turbidity
• Point de fusion (°C): 114-117°C
• Poids moléculaire: 200.620 g/mol
• XLogP3: 2.800
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 200.024 Da
• Monoisotopic Mass: 200.024 Da
• Topological Polar Surface Area: 46.500 Ų
• Heavy Atom Count: 13
• Formal Charge: 0
• Complexity: 184.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 1
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1