2-(3,5-Dichlorophenyl)acetic acid - ≥98% , CAS No.51719-65-4

CAS: 51719-65-4 Cat. No.: D184907 Formule: C₈H₆Cl₂O₂ Poids moléculaire: 205.04 Numéro CE: 811-557-1

GRADE & PURITY ≥98%

Synonyms

FT-0651174 | GS-4464 | Q27453763 | 2-(3,5-dichlorophenyl)aceticacid | 3,5-dichlorphenylacetic acid | A828738 | 3EU | J-505742 | Benzeneacetic acid, 3,5-dichloro- | MFCD01764671 | DTXSID20199667 | (3,5-dichlorophenyl)acetic acid | 3,5-DICHLOROPHENYLACETIC

Storage

Room temperature

Shipped In

Normal

Specifications

Synonymes

FT-0651174 | GS-4464 | Q27453763 | 2-(3,5-dichlorophenyl)aceticacid | 3,5-dichlorphenylacetic acid | A828738 | 3EU | J-505742 | Benzeneacetic acid, 3,5-dichloro- | MFCD01764671 | DTXSID20199667 | (3,5-dichlorophenyl)acetic acid | 3,5-DICHLOROPHENYLACETIC

Spécifications et pureté

≥98%

Conditions de stockage de stockage

Room temperature

Expédié en

Normal

Pureté

≥98%

Noms et identifiants

Pubchem Sid

528755830

Sourires canoniques

C1=C(C=C(C=C1Cl)Cl)CC(=O)O

IUPAC Name

2-(3,5-dichlorophenyl)acetic acid

InChIKey

RERINLRFXYGZEE-UHFFFAOYSA-N

INCHI

1S/C8H6Cl2O2/c9-6-1-5(3-8(11)12)2-7(10)4-6/h1-2,4H,3H2,(H,11,12)

Isomères SMILES

C1=C(C=C(C=C1Cl)Cl)CC(=O)O

Poids moléculaire

205.04

Reaxy-Rn

1947769

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1947769&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Classe Benzene and substituted derivatives
      • Subclass Halobenzenes
        • Level5 Chlorobenzenes
          • Level6 Dichlorobenzenes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: 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: 1,3-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
• Description: 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

Propriétés chimiques et physiques

• Poids moléculaire: 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: 162.000
• 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