3-Bromoheptane - ≥93%(GC) , CAS No.1974-05-6

CAS: 1974-05-6 Cat. No.: B152441 Fórmula: C₇H₁₅Br Peso molecular: 179.1 Número EC: 217-825-9

CALIDAD & PUREZA ≥93%(GC)

Synonyms

3-BROMOHEPTANE | D88770 | SCHEMBL1003367 | Phenylmethyl[S-(R,S)]-[1-oxiranyl-2-(phenylthio)ethyl]carbamate | Heptane, 3-bromo- | DTXSID70883786 | LS-13355 | AKOS009157924 | B1234 | FT-0615223 | MFCD00039184 | 3-Heptyl Bromide | EINECS 217-825-9

Storage

Room temperature

Shipped In

Normal

Especificaciones

Sinónimos

3-BROMOHEPTANE | D88770 | SCHEMBL1003367 | Phenylmethyl[S-(R,S)]-[1-oxiranyl-2-(phenylthio)ethyl]carbamate | Heptane, 3-bromo- | DTXSID70883786 | LS-13355 | AKOS009157924 | B1234 | FT-0615223 | MFCD00039184 | 3-Heptyl Bromide | EINECS 217-825-9

Especificaciones y pureza

≥93%(GC)

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Pureza

≥93%(GC)

Nombres e identificadores

Pubchem Sid

504752731

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504752731

Sonrisas canónicas

CCCCC(CC)Br

IUPAC Name

3-bromoheptane

InChIKey

MLHXKYLLJRLHGH-UHFFFAOYSA-N

INCHI

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

Isómeros SMILES

CCCCC(CC)Br

Peso molecular

179.1

Reaxy-Rn

1719072

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1719072&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

• Índice de refracción: 1.451
• Punto de inflamación (°C): 48 °C
• Punto de ebullición (°C): 140°C
• Peso molecular: 179.100 g/mol
• XLogP3: 3.700
• 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: 43.700
• 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

Preguntas frecuentes

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

This product is supplied at ≥93% purity, determined by gas chromatography (GC). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at room temperature.

How is this product shipped?

This product ships under standard ambient conditions. No temperature-controlled packaging is required.

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

The CAS Number is 1974-05-6, the molecular formula is C7H15Br, and the molecular weight is 179.1 g/mol. InChIKey MLHXKYLLJRLHGH-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.