2,4-Dichlorophenol - analytical standard , CAS No.120-83-2

CAS: 120-83-2 Cat. No.: D117194 分子式: C₆H₄Cl₂O 分子量: 163 Beilstein Registry Number: 742467 EC番号: 204-429-6

GRADE & PURITY Analytical standard

Synonyms

AKOS000118751 | PD124041 | 2,4-D TP1 | 2,4-Dichlorophenol, analytical standard | AMY23192 | FT-0610062 | Phenol, 2,4-dichloro- | InChI=1/C6H4Cl2O/c7-4-1-2-6(9)5(8)3-4/h1-3,9 | Tox21_300040 | UNII-R669TG1950 | AC-11247 | J-507182 | C02625 | STR00302 | Tox2

Storage

Protected from light,Room temperature

Shipped In

FedEx DG Service

Specifications

同義語

AKOS000118751 | PD124041 | 2,4-D TP1 | 2,4-Dichlorophenol, analytical standard | AMY23192 | FT-0610062 | Phenol, 2,4-dichloro- | InChI=1/C6H4Cl2O/c7-4-1-2-6(9)5(8)3-4/h1-3,9 | Tox21_300040 | UNII-R669TG1950 | AC-11247 | J-507182 | C02625 | STR00302 | Tox2

仕様と純度

analytical standard

保管条件

Protected from light,Room temperature

入荷

FedEx DG Service

等級

分析用標準物質

名前と識別子

パブケム・シド

504751680

パブケム・シド・ウル

https://pubchem.ncbi.nlm.nih.gov/substance/504751680

カノニカル・スマイル

C1=CC(=C(C=C1Cl)Cl)O

IUPAC Name

2,4-dichlorophenol

InChIKey

HFZWRUODUSTPEG-UHFFFAOYSA-N

INCHI

1S/C6H4Cl2O/c7-4-1-2-6(9)5(8)3-4/h1-3,9H

異性体SMILES

C1=CC(=C(C=C1Cl)Cl)O

WGKドイツ

3

UN番号

2020

包装グループ

III

分子量

163

Beilstein

742467

Reaxy-Rn

742467

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=742467&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • 分類 Benzene and substituted derivatives
      • Subclass Halobenzenes
        • Level5 Chlorobenzenes
          • Level6 Dichlorobenzenes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• 分類: Benzene and substituted derivatives
• Subclass: Halobenzenes
• Intermediate Tree Nodes: Chlorobenzenes
• Direct Parent: Dichlorobenzenes
• Alternative Parents: P-chlorophenols O-chlorophenols 1-hydroxy-2-unsubstituted benzenoids Aryl chlorides Organooxygen compounds Organochlorides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: 4-chlorophenol - 2-chlorophenol - 2-halophenol - 4-halophenol - 1,3-dichlorobenzene - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Aryl halide - Aryl chloride - Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - Organochloride - Organohalogen compound - Aromatic homomonocyclic compound
• 説明: This compound belongs to the class of organic compounds known as dichlorobenzenes. These are compounds containing a benzene with exactly two chlorine atoms attached to it.
• 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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作用メカニズム

化学的性質と物理的性質

• 溶解度: Soluble in ethanol, ether, benzene and carbon tetrachloride, slightly soluble in water.
• 感度: Light sensitive.
• 引火点（°F）: 231.1 °F - closed cup
• 引火点（°C）: 110.6 °C - closed cup
• 沸点（°C）: 210°C
• 融点（°C）: 43 °C
• 分子量: 163.000 g/mol
• XLogP3: 3.100
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 161.964 Da
• Monoisotopic Mass: 161.964 Da
• Topological Polar Surface Area: 20.200 Ų
• Heavy Atom Count: 9
• Formal Charge: 0
• Complexity: 97.100
• 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