Dicofol - analytical standard, ≥95% , CAS No.115-32-2

CAS: 115-32-2 Cat. No.: D141317 分子式: C₁₄H₉Cl₅O 分子量: 370.49 Beilstein Registry Number: 1886299 EC番号: 204-082-0

グレード＆純度 Analytical standard, ≥95%

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

Store at 2-8°C

Shipped In

Wet ice

仕様

同義語

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 もっと見る

仕様と純度

analytical standard, ≥95%

保管条件

Store at 2-8°C

入荷

Wet ice

この製品は冷冷この冷このこの製品の運送が必要です。地上およびその他の経済サービスは利用できません。

等級

分析用標準物質

純度

≥95%

名前と識別子

パブケム・シド

508811573

カノニカル・スマイル

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

異性体SMILES

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

WGKドイツ

3

RTECS

DC8400000

UN番号

3082

包装グループ

III

分子量

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
    • 分類 Benzene and substituted derivatives
      • Subclass Diphenylmethanes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• 分類: 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
• 説明: 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

関連ターゲット（人間）

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

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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

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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

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関連ターゲット（非人間）

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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作用メカニズム

化学的性質と物理的性質

• 溶解度: Slightly soluble in water, soluble in most organic solvents.
• 感度: Light sensitive.
• 引火点（°F）: 120.2℉
• 引火点（°C）: 49°C
• 沸点（°C）: 180°C
• 融点（°C）: 78.5°C
• 分子量: 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