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

CAS: 108-43-0 Cat. No.: C104276 Fórmula: C₆H₅OCl Peso molecular: 128.56 Beilstein Registry Number: 1634401 Número EC: 203-582-6

CALIDAD & PUREZA 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

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Especificaciones

Sinónimos

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 | Show more

Especificaciones y pureza

analytical standard

Condiciones de almacenamiento de almacenamiento

Protected from light,Room temperature

Enviado en

FedEx DG Service

Grado

Analytical standard

Nombres e identificadores

Pubchem Sid

528758774

Sonrisas canónicas

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

Isómeros SMILES

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

WGK Alemania

3

RTECS

SK2450000

Número ONU

2020

Grupo de embalaje

III

Peso molecular

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
    • Clase Phenols
      • Subclass Halophenols
        • Level5 Chlorophenols
          • Level6 M-chlorophenols

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: 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
• Descripción: 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

Objetivos asociados (humanos)

AR Tclin Androgen Receptor (11781 Activities)

Discover Target: AR

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

TSHR Tclin Thyroid stimulating hormone receptor (29986 Activities)

Discover Target: TSHR

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

ALB Tchem Serum albumin (2651 Activities)

Discover Target: ALB

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

NR1H2 Tchem LXR-beta (3841 Activities)

Discover Target: NR1H2

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Objetivos asociados (no humanos)

L1210 (27553 Activities)

Explore this target

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

E Lysozyme (95 Activities)

Discover Target: E

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mecanismos de acción

Propiedades químicas y físicas

• Solubilidad: Slightly soluble in water, soluble in alcohols, ethers, and lyes.
• Sensibilidad: Light sensitive.
• Punto de congelación (°C): 33 °C
• Índice de refracción: 1.5565
• Punto de inflamación (°F): 248.0 °F
• Punto de inflamación (°C): 120℃
• Punto de ebullición (°C): 214°C
• Punto de fusión (°C): 33.5°C
• Peso molecular: 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