Dicofol standard solution - analytical standard, 10ug/ml in petroleum ether , CAS No.115-32-2

CAS: 115-32-2 Cat. No.: D110023 Formule: C₁₄H₉Cl₅O Poids moléculaire: 370.49 Beilstein Registry Number: 1886299 Numéro CE: 204-082-0

QUALITÉ & PURETÉ Analytical standard, 10ug/ml in petroleum ether

Synonyms

2,2,2-Trichloro-1,1-bis(4-cloro-fenil)-etanolo|4-Chloro-alpha-(4-chlorophenyl)-alpha-(trichloromethyl)benzenemethanol|Ethanol, 2,2,2-Trichloro-1,1-bis(4-chlorophenyl)-|Milbol|Tricofol|DTMC|p,p-Dicofol|Carbax|Benzenemethanol, 4-chloro-alpha-(4-chlorophenyl)-alpha-(trichloromethyl)-|Benzhydrol, 4,4'-dichloro-alpha-(trichloromethyl)-|Decofol|Di-(p-chlorophenyl)trichloromethylcarbinol|1,1,1-Trichlor-2,2-bis(4-chlorphenyl)-aethanol|2,2,2-Trichlor-1,1-bis(4-chlor-phenyl)-aethanol [German]|1,1-Bis(p-chlorophenyl)-2,2,2-trichloroethanol|Ethanol,1,1-bis(p-chlorophenyl)-2,2,2-trichloro-|Dicomite|2,2,2-Trichlor-1,1-bis(4-chlor-phenyl)-aethanol|Kelthanethanol|Benzhydrol, 4,4'-dichloro-.alpha.-(trichloromethyl)-|2,2,2-Trichloro-1,1-bis(4-cloro-fenil)-etanolo [Italian]|4,4'-Dichloro-alpha-(trichloromethyl)benzhydrol|4-Chloro-alpha-(4-chlorophenyl)-alpha-(trichloromethyl)benzyl alcohol|FW 293|para,para'-Kelthane|Cekudifol|DICOFOL [HSDB]|Kelthane dust base|Benzenemethanol, 4-chloro-.alpha.-(4-chlorophenyl)-.alpha.-(trichloromethyl)-|Dicofol [BSI:ISO]|Agrothane|2,2,2-Trichloro-1,1-di-(4-chlorophenyl)ethanol|2,2,2-Trichloro-1,1-bis(4-chlorophenyl)-ethanol|2,2,2-Trichloro-1,1-bis(4-chlorophenyl)-ethanol [French]|2,2,2-Trichloor-1,1-bis(4-chloor fenyl)-ethanol|Kelthane|Mitigan|4-Chloro-.alpha.-(4-chlorophenyl)-.alpha.-(trichloromethyl)benzenemethanol|1,1-Bis(4-chlorophenyl)-2,2,2-trichloroethanol|FW-293|1,1,1-Trichlor-2,2-bis(4-chlorphenyl)-aethanol [German]|2,2,2-Trichloor-1,1-bis(4-chloor-fenyl)-ethanol [Dutch]|Dichlorokelthane|DICOFOL|2,2,2-Trichloor-1,1-bis(4-chloor-fenyl)-ethanol|2,2,2-trichloro-1,1-bis (4-chlorophenyl)ethanol|Acarin|Keltane|p,p'-Kelthane|4,4'-Dichloro-.alpha.-(trichloromethyl)benzhydrol|Hifol|DICOFOL [IARC]|Ethanol, 2,2,2-trichloro-1,1-bis(p-chlorophenyl)-|Hilfol 18.5 ec|Dicofol [ISO]|DICOFOL [MI]|Kelthane A|CPCA

Storage

Room temperature

Shipped In

Normal

Spécifications

Synonymes

2,2,2-Trichloro-1,1-bis(4-cloro-fenil)-etanolo | 4-Chloro-alpha-(4-chlorophenyl)-alpha-(trichloromethyl)benzenemethanol | Ethanol, 2,2,2-Trichloro-1,1-bis(4-chlorophenyl)- | Milbol | Tricofol | DTMC | p,p-Dicofol | Carbax | Benzenemethanol, 4-chloro-alpha-(4-chlorophenyl)-alpha-(trichloromethyl)- | Benzhydrol, 4,4'-dichloro-alpha-(trichlo Afficher plus

Spécifications et pureté

analytical standard, 10ug/ml in petroleum ether

Conditions de stockage de stockage

Room temperature

Expédié en

Normal

Grade

Étalon d'analyse

Noms et identifiants

Pubchem Sid

528769100

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/528769100

Sourires canoniques

C1=CC(=CC=C1C(C2=CC=C(C=C2)Cl)(C(Cl)(Cl)Cl)O)Cl

IUPAC Name

2,2,2-trichloro-1,1-bis(4-chlorophenyl)ethanol

InChIKey

UOAMTSKGCBMZTC-UHFFFAOYSA-N

INCHI

1S/C14H9Cl5O/c15-11-5-1-9(2-6-11)13(20,14(17,18)19)10-3-7-12(16)8-4-10/h1-8,20H

Isomères SMILES

C1=CC(=CC=C1C(C2=CC=C(C=C2)Cl)(C(Cl)(Cl)Cl)O)Cl

WGK Allemagne

3

RTECS

DC8400000

Numéro ONU

3082

Groupe d'emballage

III

Poids moléculaire

370.49

Beilstein

1886299

Reaxy-Rn

1886299

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1886299&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Classe Benzene and substituted derivatives
      • Subclass Diphenylmethanes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: Benzene and substituted derivatives
• Subclass: Diphenylmethanes
• Intermediate Tree Nodes: Not available
• Direct Parent: Diphenylmethanes
• Alternative Parents: Chlorobenzenes Aryl chlorides Tertiary alcohols Chlorohydrins Organochlorides Hydrocarbon derivatives Aromatic alcohols Alkyl chlorides
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Diphenylmethane - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Tertiary alcohol - Halohydrin - Chlorohydrin - Organochloride - Organohalogen compound - Aromatic alcohol - Hydrocarbon derivative - Organic oxygen compound - Alkyl chloride - Alcohol - Alkyl halide - Organooxygen compound - Aromatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as diphenylmethanes. These are compounds containing a diphenylmethane moiety, which consists of a methane wherein two hydrogen atoms are replaced by two phenyl groups.
• External Descriptors: Acaricides

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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TSHR Tclin Thyroid stimulating hormone receptor (29986 Activities)

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PPARA Tclin Peroxisome proliferator-activated receptor alpha (9197 Activities)

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KCNH2 Tclin HERG (29587 Activities)

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THRB Tclin Thyroid hormone receptor beta-1 (7926 Activities)

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RXRA Tclin Retinoid X receptor alpha (3637 Activities)

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NFKB1 Tclin Nuclear factor NF-kappa-B p105 subunit (1459 Activities)

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Homo sapiens (32628 Activities)

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HIF1A Tchem Hypoxia-inducible factor 1 alpha (6027 Activities)

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Tetranychus urticae (2600 Activities)

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lef Anthrax lethal factor (7585 Activities)

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Nfe2l2 Nuclear factor erythroid 2-related factor 2 (214 Activities)

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Rorc Nuclear receptor ROR-gamma (89407 Activities)

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Mécanismes d'action

Propriétés chimiques et physiques

• Solubilité: Slightly soluble in water, soluble in most organic solvents.
• Sensibilité: Light sensitive.
• Point d'éclair (°F): 120.2℉
• Point d'éclair (°C): 49°C
• Point d'ébullition (°C): 180°C
• Point de fusion (°C): 78.5°C
• Poids moléculaire: 370.500 g/mol
• XLogP3: 4.300
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 369.907 Da
• Monoisotopic Mass: 367.91 Da
• Topological Polar Surface Area: 20.200 Ų
• Heavy Atom Count: 20
• Formal Charge: 0
• Complexity: 292.000
• 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