4-Chlorophenylacetic acid - ≥99% , CAS No.1878-66-6

CAS: 1878-66-6 Cat. No.: C103600 Formula: C₈H₇ClO₂ Peso molecolare: 170.59 Beilstein Registry Number: 1072816 Numero EC: 217-521-6

GRADE & PURITY ≥99%

Synonyms

A22032 | (4-Chlorophenyl)acetic acid | (4-chloro-phenyl)-acetic acid | (4-chlorophenyl)-acetic acid | FT-0618247 | 4chlorophenylacetic acid | 4-Chlorophenylacetic acid | 4-chlorophenyl-acetic acid | 2-(4-chlorophenyl)acetic acid | 2-(4-chlorophenyl)-aceti

Storage

Room temperature

Shipped In

Normal

Panoramica

4-Chlorophenylacetic acid is a compound belongs to a family of small aromatic fatty acids with anticancer properties. 4-Chlorophenylacetic acid can provide carbon and energy for Pseudomonas sp.

Specifications

Sinonimi

A22032 | (4-Chlorophenyl)acetic acid | (4-chloro-phenyl)-acetic acid | (4-chlorophenyl)-acetic acid | FT-0618247 | 4chlorophenylacetic acid | 4-Chlorophenylacetic acid | 4-chlorophenyl-acetic acid | 2-(4-chlorophenyl)acetic acid | 2-(4-chlorophenyl)-aceti

Specifiche e purezza

≥99%

Condizioni di conservazione di stoccaggio

Room temperature

Spedito in

Normal

Purezza

≥99%

Nomi e identificatori

Pubchem Sid

488182183

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488182183

Sorrisi canonici

C1=CC(=CC=C1CC(=O)O)Cl

IUPAC Name

2-(4-chlorophenyl)acetic acid

InChIKey

CDPKJZJVTHSESZ-UHFFFAOYSA-N

INCHI

1S/C8H7ClO2/c9-7-3-1-6(2-4-7)5-8(10)11/h1-4H,5H2,(H,10,11)

Isomeri SMILES

C1=CC(=CC=C1CC(=O)O)Cl

WGK Germania

3

RTECS

AG0590000

Peso molecolare

170.59

Beilstein

1072816

Reaxy-Rn

1072816

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1072816&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Classe Benzene and substituted derivatives
      • Subclass Halobenzenes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: Benzene and substituted derivatives
• Subclass: Halobenzenes
• Intermediate Tree Nodes: Not available
• Direct Parent: Chlorobenzenes
• Alternative Parents: Aryl chlorides Monocarboxylic acids and derivatives Carboxylic acids Organochlorides Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Chlorobenzene - Aryl halide - Aryl chloride - Monocarboxylic acid or derivatives - Carboxylic acid - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organochloride - Organohalogen compound - Carbonyl group - Aromatic homomonocyclic compound
• Descrizione: This compound belongs to the class of organic compounds known as chlorobenzenes. These are compounds containing one or more chlorine atoms attached to a benzene moiety.
• External Descriptors: monocarboxylic acid - monochlorobenzenes

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

Proprietà chimiche e fisiche

• Punto di fusione (°C): 104-106°C
• Peso molecolare: 170.590 g/mol
• XLogP3: 2.100
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 170.013 Da
• Monoisotopic Mass: 170.013 Da
• Topological Polar Surface Area: 37.300 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 139.000
• 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

Domande frequenti

What is the purity of this product?

This product is supplied at ≥99% 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 1878-66-6, the molecular formula is C8H7ClO2, and the molecular weight is 170.59 g/mol. InChIKey CDPKJZJVTHSESZ-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.