4-Bromoheptane - ≥97% , CAS No.998-93-6

CAS: 998-93-6 Cat. No.: B301016 Fórmula: C₇H₁₅Br Peso molecular: 179.1 Número EC: 213-653-3

CALIDAD & PUREZA ≥97%

Synonyms

EINECS 213-653-3 | 4-bromo-heptan | 4-Bromoheptane, AldrichCPR | MFCD00039182 | SY016752 | AKOS005216031 | BS-23227 | DTXSID5061374 | FT-0617891 | SCHEMBL1001541 | 4-Bromoheptane | 4-bromo-heptane | Heptane, 4-bromo- | EN300-1914586

Storage

Store at 2-8°C

Shipped In

Wet ice

Especificaciones

Sinónimos

EINECS 213-653-3 | 4-bromo-heptan | 4-Bromoheptane, AldrichCPR | MFCD00039182 | SY016752 | AKOS005216031 | BS-23227 | DTXSID5061374 | FT-0617891 | SCHEMBL1001541 | 4-Bromoheptane | 4-bromo-heptane | Heptane, 4-bromo- | EN300-1914586

Especificaciones y pureza

≥97%

Condiciones de almacenamiento de almacenamiento

Store at 2-8°C

Enviado en

Wet ice

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Pureza

≥97%

Nombres e identificadores

Sonrisas canónicas

CCCC(CCC)Br

IUPAC Name

4-bromoheptane

InChIKey

BNUTXEKPXPZAIT-UHFFFAOYSA-N

INCHI

1S/C7H15Br/c1-3-5-7(8)6-4-2/h7H,3-6H2,1-2H3

Isómeros SMILES

CCCC(CCC)Br

Peso molecular

179.1

Reaxy-Rn

1697144

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1697144&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organohalogen compounds
    • Clase Organobromides

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

• Solubilidad: Miscible with carbon tetrachloride, chloroform and benzene. Immiscible with water.
• Punto de inflamación (°C): 40°C
• Punto de ebullición (°C): 60-62°/18mmHg
• Peso molecular: 179.100 g/mol
• XLogP3: 3.600
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 4
• Exact Mass: 178.036 Da
• Monoisotopic Mass: 178.036 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 8
• Formal Charge: 0
• Complexity: 37.700
• 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