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

CAS: 115-32-2 Cat. No.: D110023 Fórmula: C₁₄H₉Cl₅O Peso molecular: 370.49 Beilstein Registry Number: 1886299 Número EC: 204-082-0

CALIDAD & PUREZA 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

Especificaciones

Sinónimos

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 Show more

Especificaciones y pureza

analytical standard, 10ug/ml in petroleum ether

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Grado

Analytical standard

Nombres e identificadores

Pubchem Sid

528769100

Pubchem Sid Url

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

Sonrisas canónicas

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

Isómeros SMILES

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

WGK Alemania

3

RTECS

DC8400000

Número ONU

3082

Grupo de embalaje

III

Peso molecular

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
    • Clase Benzene and substituted derivatives
      • Subclass Diphenylmethanes

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

Objetivos asociados (humanos)

ESR1 Tclin Estrogen receptor alpha (17718 Activities)

Discover Target: ESR1

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

NR3C1 Tclin Glucocorticoid receptor (14987 Activities)

Discover Target: NR3C1

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

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

Discover Target: PPARA

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

KCNH2 Tclin HERG (29587 Activities)

Discover Target: KCNH2

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

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

Discover Target: THRB

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

RXRA Tclin Retinoid X receptor alpha (3637 Activities)

Discover Target: RXRA

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

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

Discover Target: NFKB1

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

TP53 Tchem Cellular tumor antigen p53 (48468 Activities)

Discover Target: TP53

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Homo sapiens (32628 Activities)

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

Discover Target: HIF1A

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

Objetivos asociados (no humanos)

Ppard Peroxisome proliferator-activated receptor delta (358 Activities)

Discover Target: Ppard

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

Mapk1 MAP kinase ERK2 (650 Activities)

Discover Target: Mapk1

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Tetranychus urticae (2600 Activities)

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lef Anthrax lethal factor (7585 Activities)

Discover Target: lef

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

Discover Target: Nfe2l2

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

Rorc Nuclear receptor ROR-gamma (89407 Activities)

Discover Target: Rorc

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Mecanismos de acción

Propiedades químicas y físicas

• Solubilidad: Slightly soluble in water, soluble in most organic solvents.
• Sensibilidad: Light sensitive.
• Punto de inflamación (°F): 120.2℉
• Punto de inflamación (°C): 49°C
• Punto de ebullición (°C): 180°C
• Punto de fusión (°C): 78.5°C
• Peso molecular: 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