2,3-Dichlorophenylacetic Acid - ≥98%(HPLC) , CAS No.10236-60-9

CAS: 10236-60-9 Cat. No.: D154694 Summenformel: C₈H₆Cl₂O₂ Molekulargewicht: 205.03 EG-Nummer: 642-603-7

GRADE & PURITY ≥98%(HPLC)

Synonyms

2,3-Dichlorobenzeneacetic acid | Benzeneacetic acid, 2,3-dichloro- | EN300-83816 | SY003596 | YWMXEUIQZOQESD-UHFFFAOYSA-N | (2,3-dichlorophenyl)acetic acid | 2,3-Dichlorophenylacetic acid | DTXSID80144936 | MFCD01861393 | Z982129970 | D2931 | FT-0636659 |

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyme

2,3-Dichlorobenzeneacetic acid | Benzeneacetic acid, 2,3-dichloro- | EN300-83816 | SY003596 | YWMXEUIQZOQESD-UHFFFAOYSA-N | (2,3-dichlorophenyl)acetic acid | 2,3-Dichlorophenylacetic acid | DTXSID80144936 | MFCD01861393 | Z982129970 | D2931 | FT-0636659 |

Spezifikationen & Reinheit

≥98%(HPLC)

Storage

Room temperature

Verschickt in

Normal

Reinheit

≥98%(HPLC)

Namen und Kennungen

• Pubchem Sid: 504761168
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504761168
• Kanonisches Lächeln: C1=CC(=C(C(=C1)Cl)Cl)CC(=O)O
• IUPAC Name: 2-(2,3-dichlorophenyl)acetic acid
• InChIKey: YWMXEUIQZOQESD-UHFFFAOYSA-N
• INCHI: 1S/C8H6Cl2O2/c9-6-3-1-2-5(8(6)10)4-7(11)12/h1-3H,4H2,(H,11,12)
• Isomere SMILES: C1=CC(=C(C(=C1)Cl)Cl)CC(=O)O
• Molekulargewicht: 205.03
• Reaxy-Rn: 1953219
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1953219&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Klasse Benzene and substituted derivatives
      • Subclass Halobenzenes
        • Ebene5 Chlorobenzenes
          • Ebene6 Dichlorobenzenes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Klasse: Benzene and substituted derivatives
• Subclass: Halobenzenes
• Intermediate Tree Nodes: Chlorobenzenes
• Direct Parent: Dichlorobenzenes
• Alternative Parents: Aryl chlorides Monocarboxylic acids and derivatives Carboxylic acids Organochlorides Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: 1,2-dichlorobenzene - 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
• Beschreibung: This compound belongs to the class of organic compounds known as dichlorobenzenes. These are compounds containing a benzene with exactly two chlorine atoms attached to it.
• 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

Chemische und physikalische Eigenschaften

• Löslichkeit: Soluble in Methanol
• Schmelzpunkt (°C): 134 °C
• Molekulargewicht: 205.030 g/mol
• XLogP3: 2.600
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 203.974 Da
• Monoisotopic Mass: 203.974 Da
• Topological Polar Surface Area: 37.300 Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 172.000
• 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