1-Bromo-6-chlorohexane - ≥98% , CAS No.6294-17-3

CAS: 6294-17-3 Cat. No.: B111196 Fórmula: C₆H₁₂BrCl Peso molecular: 199.52 Beilstein Registry Number: 1697304 Número EC: 228-555-6

GRADE & PURITY ≥98%

Synonyms

AC1307 | 1-Chloro-6-bromohexane | 1-Bromo-6-chlorohexane, purum, >=95.0% (GC) | 1-bromo-6-chloro hexane | AS-18856 | F0001-1706 | Hexyl bromide, 6-chloro- | Hexane, 1-bromo-6-chloro- | NSC-270075 | EINECS 228-555-6 | 6-Chlorohexyl bromide | N-(1,1-Dimethy

Storage

Protected from light,Room temperature

Shipped In

Normal

Specifications

Sinónimos

AC1307 | 1-Chloro-6-bromohexane | 1-Bromo-6-chlorohexane, purum, >=95.0% (GC) | 1-bromo-6-chloro hexane | AS-18856 | F0001-1706 | Hexyl bromide, 6-chloro- | Hexane, 1-bromo-6-chloro- | NSC-270075 | EINECS 228-555-6 | 6-Chlorohexyl bromide | N-(1,1-Dimethy

Especificaciones y pureza

≥98%

Condiciones de almacenamiento de almacenamiento

Protected from light,Room temperature

Enviado en

Normal

Pureza

≥98%

Nombres e identificadores

• Pubchem Sid: 488185872
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488185872
• Sonrisas canónicas: C(CCCBr)CCCl
• IUPAC Name: 1-bromo-6-chlorohexane
• InChIKey: JTYUIAOHIYZBPB-UHFFFAOYSA-N
• INCHI: 1S/C6H12BrCl/c7-5-3-1-2-4-6-8/h1-6H2
• Isómeros SMILES: C(CCCBr)CCCl
• WGK Alemania: 3
• Peso molecular: 199.52
• Beilstein: 1697304
• Reaxy-Rn: 1697304
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1697304&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organohalogen compounds
    • Clase Organochlorides

• Kingdom: Organic compounds
• Superclass: Organohalogen compounds
• Clase: Organochlorides
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Organochlorides
• Alternative Parents: Organobromides Hydrocarbon derivatives Alkyl chlorides Alkyl bromides
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Hydrocarbon derivative - Organochloride - Organobromide - Alkyl halide - Alkyl chloride - Alkyl bromide - Aliphatic acyclic compound
• Descripción: This compound belongs to the class of organic compounds known as organochlorides. These are compounds containing a chemical bond between a carbon atom and a chlorine 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

• Sensibilidad: Light sensitive.
• Índice de refracción: 1.4806
• Punto de inflamación (°F): 213.8 °F
• Punto de inflamación (°C): 101°C
• Punto de ebullición (°C): 109-110°C
• Peso molecular: 199.510 g/mol
• XLogP3: 3.000
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 5
• Exact Mass: 197.981 Da
• Monoisotopic Mass: 197.981 Da
• Topological Polar Surface Area: 0.000 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