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

CAS: 76-44-8 Cat. No.: H298702 Peso molecular: 373.32 Número EC: 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

Sinónimos

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

Especificaciones y pureza

1000μg/ml in methanol

Condiciones de almacenamiento de almacenamiento

Store at 2-8°C

Enviado en

Wet ice, FedEx DG Service

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Nombres e identificadores

• Sonrisas canónicas: 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
• Isómeros SMILES: C1=CC(C2C1C3(C(=C(C2(C3(Cl)Cl)Cl)Cl)Cl)Cl)Cl
• WGK Alemania: 1
• PubChem CID: 3589
• Número ONU: 2761
• Grupo de embalaje: I
• Peso molecular: 373.32

Taxonomic Classification

Taxonomy Tree

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

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

Objetivos asociados (humanos)

ESR1 Tclin Estrogen receptor alpha (17718 Activities)

Discover Target: ESR1

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AR Tclin Androgen Receptor (11781 Activities)

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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

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

Discover Target: PPARG

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

KCNH2 Tclin HERG (29587 Activities)

Discover Target: KCNH2

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CXCL8 Tchem Interleukin-8 (642 Activities)

Discover Target: CXCL8

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NR1H4 Tclin Bile acid receptor FXR (6228 Activities)

Discover Target: NR1H4

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CYP3A4 Tclin Cytochrome P450 3A4 (53859 Activities)

Discover Target: CYP3A4

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ATM Tchem Serine-protein kinase ATM (4198 Activities)

Discover Target: ATM

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Lymphoblastoid cell (5959 Activities)

Explore this target

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POLI Tchem DNA polymerase iota (116820 Activities)

Discover Target: POLI

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TDP1 Tchem Tyrosyl-DNA phosphodiesterase 1 (345557 Activities)

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LMNA Tbio Prelamin-A/C (36751 Activities)

Discover Target: LMNA

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

Discover Target: SLCO1B1

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

CBX1 Tbio Chromobox protein homolog 1 (92434 Activities)

Discover Target: CBX1

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Objetivos asociados (no humanos)

Abcb1b P-glycoprotein 1 (174 Activities)

Discover Target: Abcb1b

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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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

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Rorc Nuclear receptor ROR-gamma (89407 Activities)

Discover Target: Rorc

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FTL Ferritin light chain (43324 Activities)

Discover Target: FTL

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Mecanismos de acción

Propiedades químicas y físicas

• Punto de inflamación (°F): 11 °C
• Punto de inflamación (°C): 11°C
• Punto de fusión (°C): 95-96°C
• Peso molecular: 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

Referencias

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]