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

CAS: 108-43-0 Cat. No.: C104276 Formula: C₆H₅OCl Peso molecolare: 128.56 Beilstein Registry Number: 1634401 Numero EC: 203-582-6

QUALITÀ & PUREZZA 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

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Shipped In

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Specifiche

Sinonimi

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 | Mostra altro

Specifiche e purezza

analytical standard

Condizioni di conservazione di stoccaggio

Protected from light,Room temperature

Spedito in

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Grado

Standard analitico

Nomi e identificatori

Pubchem Sid

528758774

Sorrisi canonici

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

Isomeri SMILES

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

WGK Germania

3

RTECS

SK2450000

Numero UN

2020

Gruppo di imballaggio

III

Peso molecolare

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
• Descrizione: 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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Meccanismi d'azione

Proprietà chimiche e fisiche

• Solubilità: Slightly soluble in water, soluble in alcohols, ethers, and lyes.
• Sensibilità: Light sensitive.
• Punto di congelamento (°C): 33 °C
• Indice di rifrazione: 1.5565
• Punto di infiammabilità (°F): 248.0 °F
• Punto di infiammabilità (°C): 120℃
• Punto di ebollizione (°C): 214°C
• Punto di fusione (°C): 33.5°C
• Peso molecolare: 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