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

Sinónimos

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

Especificaciones y pureza

analytical standard

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Grado

Analytical standard

Nombres e identificadores

• Sonrisas canónicas: 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
• Isómeros SMILES: C(C1C(C2(C(=C(C1(C2(Cl)Cl)Cl)Cl)Cl)Cl)CO)O
• WGK Alemania: 2
• RTECS: DT5300000
• Número ONU: 3077
• Peso molecular: 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
    • 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 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
• 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: 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

Propiedades químicas y físicas

• Punto de inflamación (°F): >100 °C
• Punto de inflamación (°C): >100°C
• Peso molecular: 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