3-Chlorophenol - analytical standard , CAS No.108-43-0

CAS: 108-43-0 Cat. No.: C104276 Formule: C₆H₅OCl Poids moléculaire: 128.56 Beilstein Registry Number: 1634401 Numéro CE: 203-582-6

QUALITÉ & PURETÉ Analytical standard

Synonyms

m-Chlorophenol|m-chloro-phenol|3-Hydroxychlorobenzene|3-CHLOROPHENOL [HSDB]|M-CHLOROPHENOL [MI]|3-chloro phenol|3-Chloro-1-hydroxybenzene|m-Chlorophenol, solid|Phenol, m-chloro-|m-Chlorophenol, solid [UN2020] [Keep away from food]|3-Cyclohexyl-2-thioxotetrahydropyrimidin-4(1H)-one|Chlorophenol, m-|3-Chlorophenol|3-Chloro-Phenol|UN 2021 (Salt/Mix)|m-Chlorophenol, liquid [UN2021] [Keep away from food]|Phenol, 3-chloro-|m-Chlorophenic acid|m-Chlorophenol, liquid|UN 2020 (Salt/Mix)

Storage

Protected from light,Room temperature

Shipped In

FedEx DG Service

Spécifications

Synonymes

m-Chlorophenol | m-chloro-phenol | 3-Hydroxychlorobenzene | 3-CHLOROPHENOL [HSDB] | M-CHLOROPHENOL [MI] | 3-chloro phenol | 3-Chloro-1-hydroxybenzene | m-Chlorophenol, solid | Phenol, m-chloro- | m-Chlorophenol, solid [UN2020] [Keep away from food] | 3-Cyclohexyl-2-thioxotetrahydropyrimidin-4(1H)-one | Chlorophenol, m- | 3-Chlorophenol | Afficher plus

Spécifications et pureté

analytical standard

Conditions de stockage de stockage

Protected from light,Room temperature

Expédié en

FedEx DG Service

Grade

Analytical standard

Noms et identifiants

Pubchem Sid

528758774

Sourires canoniques

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

IUPAC Name

3-chlorophenol

InChIKey

HORNXRXVQWOLPJ-UHFFFAOYSA-N

INCHI

1S/C6H5ClO/c7-5-2-1-3-6(8)4-5/h1-4,8H

Isomères SMILES

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

WGK Allemagne

3

RTECS

SK2450000

Numéro ONU

2020

Groupe d'emballage

III

Poids moléculaire

128.56

Beilstein

1634401

Reaxy-Rn

1634401

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1634401&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Classe Phenols
      • Subclass Halophenols
        • Level5 Chlorophenols
          • Level6 M-chlorophenols

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: Phenols
• Subclass: Halophenols
• Intermediate Tree Nodes: Chlorophenols
• Direct Parent: M-chlorophenols
• Alternative Parents: Chlorobenzenes 1-hydroxy-4-unsubstituted benzenoids 1-hydroxy-2-unsubstituted benzenoids Aryl chlorides Organooxygen compounds Organochlorides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: 3-chlorophenol - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Halobenzene - Chlorobenzene - Monocyclic benzene moiety - Aryl halide - Aryl chloride - Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - Organochloride - Organohalogen compound - Aromatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as m-chlorophenols. These are chlorophenols carrying a iodine at the C3 position of the benzene ring.
• External Descriptors: a chloroaromatic compound

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

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Mécanismes d'action

Propriétés chimiques et physiques

• Solubilité: Slightly soluble in water, soluble in alcohols, ethers, and lyes.
• Sensibilité: Light sensitive.
• Point de congélation (°C): 33 °C
• Indice de réfraction: 1.5565
• Point d'éclair (°F): 248.0 °F
• Point d'éclair (°C): 120℃
• Point d'ébullition (°C): 214°C
• Point de fusion (°C): 33.5°C
• Poids moléculaire: 128.550 g/mol
• XLogP3: 2.500
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 128.003 Da
• Monoisotopic Mass: 128.003 Da
• Topological Polar Surface Area: 20.200 Ų
• Heavy Atom Count: 8
• Formal Charge: 0
• Complexity: 74.900
• 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