3-Bromohexane - ≥80%(GC) , CAS No.3377-87-5

CAS: 3377-87-5 Cat. No.: B152444 Fórmula: C₆H₁₃Br Peso molecular: 165.07 Número CE: 222-174-9

GRAU & PUREZA ≥80%(GC)

Synonyms

MFCD00039181 | SCHEMBL574546 | DTXSID20871017 | BP-10278 | B1289 | FT-0615224 | 3-Hexyl Bromide | EINECS 222-174-9 | AKOS009156550 | 3-BROMOHEXANE | 3-bromo-hexane | D78429 | Hexane, 3-bromo-

Storage

Store at 2-8°C

Shipped In

Wet ice

Especificações

Sinónimos

MFCD00039181 | SCHEMBL574546 | DTXSID20871017 | BP-10278 | B1289 | FT-0615224 | 3-Hexyl Bromide | EINECS 222-174-9 | AKOS009156550 | 3-BROMOHEXANE | 3-bromo-hexane | D78429 | Hexane, 3-bromo-

Especificações e pureza

≥80%(GC)

Condições de armazenamento de armazenamento

Store at 2-8°C

Enviado em

Wet ice

Este produto requer transporte de cadeia fria. Serviços terrestres e outros serviços econômicos não estão disponíveis.

Pureza

≥80%(GC)

Nomes e identificadores

Pubchem Sid

504752908

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504752908

Sorrisos canónicos

CCCC(CC)Br

IUPAC Name

3-bromohexane

InChIKey

IOZOJWNUKLCDML-UHFFFAOYSA-N

INCHI

1S/C6H13Br/c1-3-5-6(7)4-2/h6H,3-5H2,1-2H3

SMILES isoméricas

CCCC(CC)Br

Peso molecular

165.07

Reaxy-Rn

1718967

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1718967&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organohalogen compounds
    • Classe Organobromides

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

Propriedades químicas e físicas

• Solubilidade: Insoluble in water.
• Sensibilidade: Light sensitive
• Índice de refração: 1.45
• Ponto de inflamação (°F): 46°C(lit.)
• Ponto de inflamação (°C): 46°C(lit.)
• Ponto de ebulição (°C): 142°C
• Peso molecular: 165.070 g/mol
• XLogP3: 3.200
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 3
• Exact Mass: 164.02 Da
• Monoisotopic Mass: 164.02 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 7
• Formal Charge: 0
• Complexity: 35.200
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 1
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1

Perguntas frequentes

What is the purity of this product, and how is it determined?

This product is supplied at ≥80% purity, determined by gas chromatography (GC). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at 2–8 °C. Refrigerated storage is required to maintain the specified shelf life.

How is this product shipped?

This product ships chilled on wet ice. Unpack on arrival and transfer it to the storage condition stated above.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 3377-87-5, the molecular formula is C6H13Br, and the molecular weight is 165.07 g/mol. InChIKey IOZOJWNUKLCDML-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.