6-Chloro-1-hexanol - ≥95% , CAS No.2009-83-8

CAS: 2009-83-8 Cat. No.: C109454 Peso molecular: 136.62 Beilstein Registry Number: 1697307 Número EC: 217-925-2

GRADE & PURITY ≥95%

Synonyms

.OMEGA.-CHLOROHEXANOL | CAS-2009-83-8 | NCGC00260358-01 | 4-01-00-01704 (Beilstein Handbook Reference) | MFCD00129813 | NSC-3700 | omega-Chlorohexanol | 6-Chlorohexanol | 6-chloro-hexanol | HY-41681 | 6-chloro-hexan-1-ol | 6-chlorohexan-1ol | 6-Chlorohexa

Storage

Room temperature

Shipped In

Normal

Specifications

Sinónimos

.OMEGA.-CHLOROHEXANOL | CAS-2009-83-8 | NCGC00260358-01 | 4-01-00-01704 (Beilstein Handbook Reference) | MFCD00129813 | NSC-3700 | omega-Chlorohexanol | 6-Chlorohexanol | 6-chloro-hexanol | HY-41681 | 6-chloro-hexan-1-ol | 6-chlorohexan-1ol | 6-Chlorohexa

Especificaciones y pureza

≥95%

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Pureza

≥95%

Nombres e identificadores

• Pubchem Sid: 504754867
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504754867
• Sonrisas canónicas: C(CCCCl)CCO
• IUPAC Name: 6-chlorohexan-1-ol
• InChIKey: JNTPTNNCGDAGEJ-UHFFFAOYSA-N
• INCHI: 1S/C6H13ClO/c7-5-3-1-2-4-6-8/h8H,1-6H2
• Isómeros SMILES: C(CCCCl)CCO
• WGK Alemania: 3
• RTECS: MO9160000
• Número ONU: 1993
• Peso molecular: 136.62
• Beilstein: 1697307
• Reaxy-Rn: 1697307
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1697307&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic oxygen compounds
    • Clase Organooxygen compounds
      • Subclass Alcohols and polyols

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Clase: Organooxygen compounds
• Subclass: Alcohols and polyols
• Intermediate Tree Nodes: Not available
• Direct Parent: Primary alcohols
• Alternative Parents: Organochlorides Hydrocarbon derivatives Alkyl chlorides
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Hydrocarbon derivative - Primary alcohol - Organochloride - Organohalogen compound - Alkyl halide - Alkyl chloride - Aliphatic acyclic compound
• Descripción: This compound belongs to the class of organic compounds known as primary alcohols. These are compounds comprising the primary alcohol functional group, with the general structure RCOH (R=alkyl, aryl).
• 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

Mecanismos de acción

Propiedades químicas y físicas

• Solubilidad: Soluble in dimethylformamide.
• Índice de refracción: 1.4547-1.4567
• Punto de inflamación (°F): 210.2 °F
• Punto de inflamación (°C): 98℃
• Punto de ebullición (°C): 108-112 °C/14 mmHg
• Peso molecular: 136.620 g/mol
• XLogP3: 1.600
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 5
• Exact Mass: 136.065 Da
• Monoisotopic Mass: 136.065 Da
• Topological Polar Surface Area: 20.200 Ų
• Heavy Atom Count: 8
• Formal Charge: 0
• Complexity: 39.500
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• 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

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