Heptachlor solution - 1000μg/ml in methanol , CAS No.76-44-8

CAS: 76-44-8 Cat. No.: H298702 Summenformel: C₁₀H₅Cl₇ Molekulargewicht: 373.32 EG-Nummer: 200-962-3 PubChem CID: 3589

GRADE & PURITY 1000μg/ml in methanol

Synonyms

3-Chlorochlordene | Eptacloro | Heptachloor | Heptagranox | Latka 104 | DTXCID70679 | 1,4,5,6,7,10,10-Heptachloro-4,7,8,9-tetrahydro-4,7-methyleneindene | Dicyclopentadiene, 3,4,5,6,7,8,8a-heptachloro- | Heptachlor (technical grade) | Heptachlore | NCI-C0

Storage

Store at 2-8°C

Shipped In

Wet ice,FedEx DG Service

Specifications

Synonyme

3-Chlorochlordene | Eptacloro | Heptachloor | Heptagranox | Latka 104 | DTXCID70679 | 1,4,5,6,7,10,10-Heptachloro-4,7,8,9-tetrahydro-4,7-methyleneindene | Dicyclopentadiene, 3,4,5,6,7,8,8a-heptachloro- | Heptachlor (technical grade) | Heptachlore | NCI-C0

Spezifikationen & Reinheit

1000μg/ml in methanol

Storage

Store at 2-8°C

Verschickt in

Wet ice,FedEx DG Service

Dieses Produkt erfordert Kühlkettenversand. Grundversand und andere Economy-Optionen sind nicht verfügbar.

Namen und Kennungen

• Kanonisches Lächeln: C1=CC(C2C1C3(C(=C(C2(C3(Cl)Cl)Cl)Cl)Cl)Cl)Cl
• IUPAC Name: 1,5,7,8,9,10,10-heptachlorotricyclo[5.2.1.02,6]deca-3,8-diene
• InChIKey: FRCCEHPWNOQAEU-UHFFFAOYSA-N
• INCHI: 1S/C10H5Cl7/c11-4-2-1-3-5(4)9(15)7(13)6(12)8(3,14)10(9,16)17/h1-5H
• Isomere SMILES: C1=CC(C2C1C3(C(=C(C2(C3(Cl)Cl)Cl)Cl)Cl)Cl)Cl
• WGK Deutschland: 1
• PubChem CID: 3589
• UN-Nummer: 2761
• Verpackungsgruppe: I
• Molekulargewicht: 373.32

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organohalogen compounds
    • Klasse Vinyl halides
      • Subclass Vinyl chlorides

• Kingdom: Organic compounds
• Superclass: Organohalogen compounds
• Klasse: Vinyl halides
• Subclass: Vinyl chlorides
• Intermediate Tree Nodes: Not available
• Direct Parent: Vinyl chlorides
• Alternative Parents: Chloroalkenes Organochlorides Hydrocarbon derivatives Alkyl chlorides
• Molecular Framework: Aliphatic homopolycyclic compounds
• Substituents: Chloroalkene - Haloalkene - Vinyl chloride - Hydrocarbon derivative - Organochloride - Alkyl halide - Alkyl chloride - Aliphatic homopolycyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as vinyl chlorides. These are vinyl halides in which a chlorine atom is bonded to an sp2-hybridised carbon atom.
• 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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AR Tclin Androgen Receptor (11781 Activities)

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TSHR Tclin Thyroid stimulating hormone receptor (29986 Activities)

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PPARG Tclin Peroxisome proliferator-activated receptor gamma (15191 Activities)

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KCNH2 Tclin HERG (29587 Activities)

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CXCL8 Tchem Interleukin-8 (642 Activities)

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NR1H4 Tclin Bile acid receptor FXR (6228 Activities)

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CYP3A4 Tclin Cytochrome P450 3A4 (53859 Activities)

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ATM Tchem Serine-protein kinase ATM (4198 Activities)

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Lymphoblastoid cell (5959 Activities)

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POLI Tchem DNA polymerase iota (116820 Activities)

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TDP1 Tchem Tyrosyl-DNA phosphodiesterase 1 (345557 Activities)

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LMNA Tbio Prelamin-A/C (36751 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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Abcb1b P-glycoprotein 1 (174 Activities)

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Mapk1 MAP kinase ERK2 (650 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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FTL Ferritin light chain (43324 Activities)

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Wirkungsmechanismen

Chemische und physikalische Eigenschaften

• Flammpunkt (°F): 11 °C
• Flammpunkt (°C): 11°C
• Schmelzpunkt (°C): 95-96°C
• Molekulargewicht: 373.300 g/mol
• XLogP3: 4.300
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 0
• Exact Mass: 371.818 Da
• Monoisotopic Mass: 369.821 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 17
• Formal Charge: 0
• Complexity: 467.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 5
• 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. Liping Qiu, Hu Wang, Xuntao Wang.  (2018)  Conversion mechanism of heptachlor by a novel bacterial strain.  RSC Advances,  8  (11): (5828-5839).  [PMID:35539625] [10.1039/C7RA10097C]

2. Mingxue Wu, Gang Chen, Ping Liu, Weihong Zhou, Qiong Jia.  (2015)  Preparation of porous aromatic framework/ionic liquid hybrid composite coated solid-phase microextraction fibers and their application in the determination of organochlorine pesticides combined with GC-ECD detection.  ANALYST,  141  (1): (243-250).  [PMID:26579991] [10.1039/C5AN01372K]

3. 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]