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

CAS: 108-43-0 Cat. No.: C104276 분자식: C₆H₅OCl 분자량: 128.56 Beilstein Registry Number: 1634401 EC 번호: 203-582-6

등급 & 순도 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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사양

동의어

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

사양 및 순도

analytical standard

보관 조건

Protected from light,Room temperature

배송

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등급

분석 표준물질

이름과 식별자

Pubchem Sid

528758774

정식 스마일

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

이성체 SMILES

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

WGK 독일

3

RTECS

SK2450000

UN 번호

2020

포장 그룹

III

분자량

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• 분류: 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
• 설명: 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

관련 대상(인간)

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Discover Target: AR

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TSHR Tclin Thyroid stimulating hormone receptor (29986 Activities)

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ALB Tchem Serum albumin (2651 Activities)

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NR1H2 Tchem LXR-beta (3841 Activities)

Discover Target: NR1H2

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

관련 대상(비인간)

L1210 (27553 Activities)

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E Lysozyme (95 Activities)

Discover Target: E

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작용 메커니즘

화학 및 물리적 특성

• 용해성: Slightly soluble in water, soluble in alcohols, ethers, and lyes.
• 감도: Light sensitive.
• 동결점(°C): 33 °C
• 굴절률: 1.5565
• 발화점(°F): 248.0 °F
• 발화점(°C): 120℃
• 끓는점(°C): 214°C
• 녹는점(°C): 33.5°C
• 분자량: 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