2-Chloro-4-phenylphenol - ≥96% , CAS No.92-04-6

CAS: 92-04-6 Cat. No.: C153440 Formula: C₁₂H₉ClO Peso molecolare: 204.65 Numero EC: 202-120-0

QUALITÀ & PUREZZA ≥96%

Synonyms

3-Chloro-[1,1'-biphenyl]-4-ol | 3-Chloro[1,1'-biphenyl]-4-ol | 3-Chloro-4-hydroxybiphenyl | 4-HYDROXY-3-CHLOROBIPHENYL | 229K1W6JFY | 3-06-00-03330 (Beilstein Handbook Reference) | Q27253643 | 3-Chloro-4-hydroxydiphenyl | 3-chloro-biphenyl-4-ol | 3-Chloro

Storage

Room temperature

Shipped In

Normal

Specifiche

Sinonimi

3-Chloro-[1,1'-biphenyl]-4-ol | 3-Chloro[1,1'-biphenyl]-4-ol | 3-Chloro-4-hydroxybiphenyl | 4-HYDROXY-3-CHLOROBIPHENYL | 229K1W6JFY | 3-06-00-03330 (Beilstein Handbook Reference) | Q27253643 | 3-Chloro-4-hydroxydiphenyl | 3-chloro-biphenyl-4-ol | 3-Chloro

Specifiche e purezza

≥96%

Condizioni di conservazione di stoccaggio

Room temperature

Spedito in

Normal

Purezza

≥96%

Nomi e identificatori

Pubchem Sid

504751242

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504751242

Sorrisi canonici

C1=CC=C(C=C1)C2=CC(=C(C=C2)O)Cl

IUPAC Name

2-chloro-4-phenylphenol

InChIKey

BZWMYDJJDBFAPE-UHFFFAOYSA-N

INCHI

1S/C12H9ClO/c13-11-8-10(6-7-12(11)14)9-4-2-1-3-5-9/h1-8,14H

Isomeri SMILES

C1=CC=C(C=C1)C2=CC(=C(C=C2)O)Cl

Peso molecolare

204.65

Reaxy-Rn

1868370

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1868370&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: Benzene and substituted derivatives
• Subclass: Biphenyls and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Chlorinated biphenyls
• Alternative Parents: O-chlorophenols Chlorobenzenes 1-hydroxy-2-unsubstituted benzenoids Aryl chlorides Organooxygen compounds Organochlorides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Chlorinated biphenyl - 2-chlorophenol - 2-halophenol - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Halobenzene - Chlorobenzene - Aryl halide - Aryl chloride - Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - Organochloride - Organohalogen compound - Aromatic homomonocyclic compound
• Descrizione: This compound belongs to the class of organic compounds known as chlorinated biphenyls. These are organic compounds containing at least one chlorine atom attached to either benzene ring of the biphenyl moiety.
• 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

Meccanismi d'azione

Proprietà chimiche e fisiche

• Punto di ebollizione (°C): 322 °C
• Punto di fusione (°C): 77-80℃
• Peso molecolare: 204.650 g/mol
• XLogP3: 4.300
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 204.034 Da
• Monoisotopic Mass: 204.034 Da
• Topological Polar Surface Area: 20.200 Ų
• Heavy Atom Count: 14
• Formal Charge: 0
• Complexity: 177.000
• 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