Endosulfan alcohol - analytical standard , CAS No.2157-19-9

CAS: 2157-19-9 Cat. No.: E114684 分子式: C₉H₈Cl₆O 分子量: 360.88 Beilstein Registry Number: 2057348 EC番号: 218-467-6

GRADE & PURITY Analytical standard

Synonyms

5-Norbornene-2,3-dimethanol, 1,4,5,6,7,7-hexachloro- | 1,4,5,6,7,7-Hexachloro-5-norbornene-2,3-dimethanol | Thiodandiol | 1,4,5,6,7,7-Hexachlorobicyclo(2.2.1)hept-5-ene-2,3-dimethanol | NSC11682 | NSC-11682 | [1,4,5,6,7,7-hexachloro-3-(hydroxymethyl)-2-bi

Storage

Room temperature

Shipped In

Normal

Specifications

同義語

5-Norbornene-2,3-dimethanol, 1,4,5,6,7,7-hexachloro- | 1,4,5,6,7,7-Hexachloro-5-norbornene-2,3-dimethanol | Thiodandiol | 1,4,5,6,7,7-Hexachlorobicyclo(2.2.1)hept-5-ene-2,3-dimethanol | NSC11682 | NSC-11682 | [1,4,5,6,7,7-hexachloro-3-(hydroxymethyl)-2-bi

仕様と純度

analytical standard

保管条件

Room temperature

入荷

Normal

等級

分析用標準物質

名前と識別子

• カノニカル・スマイル: C(C1C(C2(C(=C(C1(C2(Cl)Cl)Cl)Cl)Cl)Cl)CO)O
• IUPAC Name: [1,4,5,6,7,7-hexachloro-3-(hydroxymethyl)-2-bicyclo[2.2.1]hept-5-enyl]methanol
• InChIKey: GTSJHTSVFKEASK-UHFFFAOYSA-N
• INCHI: 1S/C9H8Cl6O2/c10-5-6(11)8(13)4(2-17)3(1-16)7(5,12)9(8,14)15/h3-4,16-17H,1-2H2
• 異性体SMILES: C(C1C(C2(C(=C(C1(C2(Cl)Cl)Cl)Cl)Cl)Cl)CO)O
• WGKドイツ: 2
• RTECS: DT5300000
• UN番号: 3077
• 分子量: 360.88
• Beilstein: 2057348
• Reaxy-Rn: 2057347
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2057347&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organohalogen compounds
• 分類: Vinyl halides
• Subclass: Vinyl chlorides
• Intermediate Tree Nodes: Not available
• Direct Parent: Vinyl chlorides
• Alternative Parents: Chloroalkenes Primary alcohols Organochlorides Hydrocarbon derivatives Alkyl chlorides
• Molecular Framework: Aliphatic homopolycyclic compounds
• Substituents: Chloroalkene - Haloalkene - Vinyl chloride - Organic oxygen compound - Hydrocarbon derivative - Primary alcohol - Organooxygen compound - Organochloride - Alkyl halide - Alkyl chloride - Alcohol - Aliphatic homopolycyclic compound
• 説明: 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

化学的性質と物理的性質

• 引火点（°F）: >100 °C
• 引火点（°C）: >100°C
• 分子量: 360.900 g/mol
• XLogP3: 2.100
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 359.863 Da
• Monoisotopic Mass: 357.866 Da
• Topological Polar Surface Area: 40.500 Ų
• Heavy Atom Count: 17
• Formal Charge: 0
• Complexity: 363.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 4
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1