α-Chlordane - analytical standard , CAS No.5103-71-9

CAS: 5103-71-9 Cat. No.: C114206 분자식: C₁₀H₆Cl₈ 분자량: 409.78 Beilstein Registry Number: 7079209 EC 번호: 225-825-5

GRADE & PURITY Analytical standard

Synonyms

NCGC00357099-01 | cis-Chlordane 100 microg/mL in Cyclohexane | DTXSID6038326 | (+)cis-chlordane | DTXCID00820189 | S6H | CAS-5103-71-9 | cis-Chlordane 10 microg/mL in Cyclohexane | ALPHA-CHLORDANE | BIDD:ER0129 | cis-Chlordane | cis-Chlordane 20 microg/mL

Storage

Room temperature

Shipped In

Normal

Specifications

동의어

NCGC00357099-01 | cis-Chlordane 100 microg/mL in Cyclohexane | DTXSID6038326 | (+)cis-chlordane | DTXCID00820189 | S6H | CAS-5103-71-9 | cis-Chlordane 10 microg/mL in Cyclohexane | ALPHA-CHLORDANE | BIDD:ER0129 | cis-Chlordane | cis-Chlordane 20 microg/mL

사양 및 순도

analytical standard

보관 조건

Room temperature

배송

Normal

등급

분석 표준물질

이름과 식별자

• 정식 스마일: C1C2C(C(C1Cl)Cl)C3(C(=C(C2(C3(Cl)Cl)Cl)Cl)Cl)Cl
• IUPAC Name: (1R,2S,3R,4S,6S,7S)-1,3,4,7,8,9,10,10-octachlorotricyclo[5.2.1.02,6]dec-8-ene
• InChIKey: BIWJNBZANLAXMG-KMMBHOGFSA-N
• INCHI: 1S/C10H6Cl8/c11-3-1-2-4(5(3)12)9(16)7(14)6(13)8(2,15)10(9,17)18/h2-5H,1H2/t2-,3-,4-,5-,8-,9+/m0/s1
• 이성체 SMILES: C1[C@H]2[C@@H]([C@H]([C@H]1Cl)Cl)[C@]3(C(=C([C@@]2(C3(Cl)Cl)Cl)Cl)Cl)Cl
• WGK 독일: 2
• UN 번호: 2762(flammable solvent)2996
• 포장 그룹: I
• 분자량: 409.78
• Beilstein: 7079209
• Reaxy-Rn: 1915474
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1915474&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organohalogen compounds
• 분류: 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
• 설명: 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: Not available

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

화학 및 물리적 특성

• 발화점(°F): -18 °C
• 발화점(°C): -18°C
• 분자량: 409.800 g/mol
• XLogP3: 4.900
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 0
• Exact Mass: 409.792 Da
• Monoisotopic Mass: 405.798 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 18
• Formal Charge: 0
• Complexity: 459.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 6
• 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

참고 문헌

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]