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

CAS: 6294-17-3 Cat. No.: B111196 Formule: C₆H₁₂BrCl Poids moléculaire: 199.52 Beilstein Registry Number: 1697304 Numéro CE: 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

Synonymes

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

Spécifications et pureté

≥98%

Conditions de stockage de stockage

Protected from light,Room temperature

Expédié en

Normal

Pureté

≥98%

Noms et identifiants

Pubchem Sid

488185872

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488185872

Sourires canoniques

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

Isomères SMILES

C(CCCBr)CCCl

WGK Allemagne

3

Poids moléculaire

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
    • Classe Organochlorides

• Kingdom: Organic compounds
• Superclass: Organohalogen compounds
• Classe: 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
• Description: 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

Propriétés chimiques et physiques

• Sensibilité: Light sensitive.
• Indice de réfraction: 1.4806
• Point d'éclair (°F): 213.8 °F
• Point d'éclair (°C): 101°C
• Point d'ébullition (°C): 109-110°C
• Poids moléculaire: 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