Methoxychlor - analytical standard , CAS No.72-43-5

CAS: 72-43-5 Cat. No.: M114227 Summenformel: C₁₆H₁₅Cl₃O₂ Molekulargewicht: 345.65 Beilstein Registry Number: 2057367 EG-Nummer: 200-779-9

GRADE & PURITY Analytical standard

Synonyms

DTXSID9020827 | NCGC00090760-08 | 1,1,1-Trichlor-2,2-bis(4-methoxy-phenyl)-aethan [German] | 1,1,1-Trichloro-2,2-bis-(p-methoxyphenyl)ethane | 1,1,1-Trichloro-2,2-bis(p-methoxyphenyl)ethane | BSPBio_002507 | Methoxychlor 2 ec | Moxie | Rcra waste number U

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyme

DTXSID9020827 | NCGC00090760-08 | 1,1,1-Trichlor-2,2-bis(4-methoxy-phenyl)-aethan [German] | 1,1,1-Trichloro-2,2-bis-(p-methoxyphenyl)ethane | 1,1,1-Trichloro-2,2-bis(p-methoxyphenyl)ethane | BSPBio_002507 | Methoxychlor 2 ec | Moxie | Rcra waste number U

Spezifikationen & Reinheit

analytical standard

Storage

Room temperature

Verschickt in

Normal

Note

Analytischer Standard

Namen und Kennungen

• Pubchem Sid: 504750749
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504750749
• Kanonisches Lächeln: COC1=CC=C(C=C1)C(C2=CC=C(C=C2)OC)C(Cl)(Cl)Cl
• IUPAC Name: 1-methoxy-4-[2,2,2-trichloro-1-(4-methoxyphenyl)ethyl]benzene
• InChIKey: IAKOZHOLGAGEJT-UHFFFAOYSA-N
• INCHI: 1S/C16H15Cl3O2/c1-20-13-7-3-11(4-8-13)15(16(17,18)19)12-5-9-14(21-2)10-6-12/h3-10,15H,1-2H3
• Isomere SMILES: COC1=CC=C(C=C1)C(C2=CC=C(C=C2)OC)C(Cl)(Cl)Cl
• WGK Deutschland: 3
• RTECS: KJ3675000
• UN-Nummer: 3077
• Verpackungsgruppe: III
• Molekulargewicht: 345.65
• Beilstein: 2057367
• Reaxy-Rn: 2057367
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2057367&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Klasse: Benzene and substituted derivatives
• Subclass: Diphenylmethanes
• Intermediate Tree Nodes: Not available
• Direct Parent: Diphenylmethanes
• Alternative Parents: Phenoxy compounds Methoxybenzenes Anisoles Alkyl aryl ethers Organochlorides Hydrocarbon derivatives Alkyl chlorides
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Diphenylmethane - Phenoxy compound - Methoxybenzene - Phenol ether - Anisole - Alkyl aryl ether - Ether - Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - Organochloride - Organohalogen compound - Alkyl halide - Alkyl chloride - Aromatic homomonocyclic compound
• Beschreibung: 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: Organochlorine pesticides - Organochlorine insecticides

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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ESR1 Tclin Estrogen receptor alpha (17718 Activities)

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GLP1R Tclin Glucagon-like peptide 1 receptor (111429 Activities)

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HEK293 (82097 Activities)

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Lymphoblastoid cell (5959 Activities)

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FEN1 Tchem Flap endonuclease 1 (12055 Activities)

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POLK Tbio DNA polymerase kappa (8653 Activities)

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POLI Tchem DNA polymerase iota (116820 Activities)

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KDM4A Tchem Lysine-specific demethylase 4A (52245 Activities)

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TDP1 Tchem Tyrosyl-DNA phosphodiesterase 1 (345557 Activities)

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L3MBTL1 Tchem Lethal(3)malignant brain tumor-like protein 1 (14536 Activities)

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ERG Tbio Transcriptional regulator ERG (5589 Activities)

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SLCO1B1 Tchem Solute carrier organic anion transporter family member 1B1 (2672 Activities)

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CBX1 Tbio Chromobox protein homolog 1 (92434 Activities)

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BAZ2B Tchem Bromodomain adjacent to zinc finger domain protein 2B (56204 Activities)

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SLCO1B3 Tchem Solute carrier organic anion transporter family member 1B3 (2517 Activities)

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USP1 Tchem Ubiquitin carboxyl-terminal hydrolase 1 (22556 Activities)

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RAPGEF4 Tchem Rap guanine nucleotide exchange factor 4 (11476 Activities)

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Cruzipain (33337 Activities)

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Abcc1 Multidrug resistance-associated protein 1 (42 Activities)

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Ppard Peroxisome proliferator-activated receptor delta (358 Activities)

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Mapk1 MAP kinase ERK2 (650 Activities)

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Nr1i3 Constitutive androstane receptor (427 Activities)

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Plasmodium falciparum (966862 Activities)

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lef Anthrax lethal factor (7585 Activities)

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Txnrd1 Thioredoxin reductase 1, cytoplasmic (45279 Activities)

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

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Impa1 Inositol monophosphatase 1 (16203 Activities)

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Nr1i2 Nuclear receptor subfamily 1 group I member 2 (14 Activities)

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Wirkungsmechanismen

Chemische und physikalische Eigenschaften

• Schmelzpunkt (°C): 86-88°C
• Molekulargewicht: 345.600 g/mol
• XLogP3: 5.100
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 4
• Exact Mass: 344.014 Da
• Monoisotopic Mass: 344.014 Da
• Topological Polar Surface Area: 18.500 Ų
• Heavy Atom Count: 21
• Formal Charge: 0
• Complexity: 279.000
• 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

Referenzen

1. Xiang Shen, Zheshan Duan, Xike Tian, Hongtao Zheng, Dongsheng Wang, Xubo Gao.  (2025)  The vertical distribution, sources and ecological risks of residual organochlorine pesticides in sediments of the North China's largest freshwater lake.  SCIENCE OF THE TOTAL ENVIRONMENT,      [PMID:41240894] [10.1016/j.scitotenv.2025.180881]

2. Xiangxu Du, Lei Wang, Yuxiang Yang, Zihao Ma.  (2026)  Spherical Mesoporous Silica Synthesis for Catalytic Applications: pH-Regulated Mesostructural Evolution Mediated by Ostwald Ripening.  Catalysts,  16  (8): (679).  [PMID:] [10.3390/catal16080679]