2-Chloro-4-fluoro-benzenepropionic acid - ≥98% , CAS No.174603-38-4

CAS: 174603-38-4 Cat. No.: C299488 Fórmula: C₉H₈ClFO₂ Peso molecular: 202.61

GRADE & PURITY ≥98%

Synonyms

DTXSID10472158 | 3-(2-CHLORO-4-FLUORO-PHENYL)-PROPIONIC ACID | CWLAMJYAQMNGPA-UHFFFAOYSA-N | A811667 | AMY16158 | F9994-0613 | Benzenepropanoic acid, 2-chloro-4-fluoro- | F14499 | 2-Chloro-4-fluoro-benzenepropionic acid, AldrichCPR | SCHEMBL5045620 | 3-(2

Storage

Room temperature

Shipped In

Normal

Specifications

Sinónimos

DTXSID10472158 | 3-(2-CHLORO-4-FLUORO-PHENYL)-PROPIONIC ACID | CWLAMJYAQMNGPA-UHFFFAOYSA-N | A811667 | AMY16158 | F9994-0613 | Benzenepropanoic acid, 2-chloro-4-fluoro- | F14499 | 2-Chloro-4-fluoro-benzenepropionic acid, AldrichCPR | SCHEMBL5045620 | 3-(2

Especificaciones y pureza

≥98%

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Pureza

≥98%

Nombres e identificadores

Sonrisas canónicas

C1=CC(=C(C=C1F)Cl)CCC(=O)O

IUPAC Name

3-(2-chloro-4-fluorophenyl)propanoic acid

InChIKey

CWLAMJYAQMNGPA-UHFFFAOYSA-N

INCHI

1S/C9H8ClFO2/c10-8-5-7(11)3-1-6(8)2-4-9(12)13/h1,3,5H,2,4H2,(H,12,13)

Isómeros SMILES

C1=CC(=C(C=C1F)Cl)CCC(=O)O

Peso molecular

202.61

Reaxy-Rn

9258345

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=9258345&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Phenylpropanoids and polyketides
    • Clase Phenylpropanoic acids

• Kingdom: Organic compounds
• Superclass: Phenylpropanoids and polyketides
• Clase: Phenylpropanoic acids
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenylpropanoic acids
• Alternative Parents: Fluorobenzenes Chlorobenzenes Aryl fluorides Aryl chlorides Monocarboxylic acids and derivatives Carboxylic acids Organofluorides Organochlorides Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: 3-phenylpropanoic-acid - Chlorobenzene - Halobenzene - Fluorobenzene - Aryl chloride - Aryl fluoride - Aryl halide - Benzenoid - Monocyclic benzene moiety - Carboxylic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Organic oxygen compound - Organohalogen compound - Organochloride - Organofluoride - Carbonyl group - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Aromatic homomonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as phenylpropanoic acids. These are compounds with a structure containing a benzene ring conjugated to a propanoic 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

Propiedades químicas y físicas

• Peso molecular: 202.610 g/mol
• XLogP3: 2.400
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 202.02 Da
• Monoisotopic Mass: 202.02 Da
• Topological Polar Surface Area: 37.300 Ų
• Heavy Atom Count: 13
• Formal Charge: 0
• Complexity: 186.000
• 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

Preguntas frecuentes

What is the purity of this product?

This product is supplied at ≥98% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at room temperature.

How is this product shipped?

This product ships under standard ambient conditions. No temperature-controlled packaging is required.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 174603-38-4, the molecular formula is C9H8ClFO2, and the molecular weight is 202.61 g/mol. InChIKey CWLAMJYAQMNGPA-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.