sec-Butyl bromide - ≥98% , CAS No.78-76-2

CAS: 78-76-2 Cat. No.: B109118 Fórmula: C₄H₉Br Peso molecular: 137.02 Beilstein Registry Number: 505949 Número EC: 201-140-7

GRADE & PURITY ≥98%

Synonyms

NSC 8417 | 2-Bromo butane | EINECS 201-140-7 | 2-Bromobutane | DTXCID201499 | J-802068 | SEC-BUTYL BROMIDE, (+/-)- | 2-Bromobutane, purum, >=98.0% (GC) | Methylethylbromomethane | NCGC00258187-01 | Butane, 2-bromo- | AKOS009157105 | 2-Bromobutane sec-Buty

Storage

Protected from light,Room temperature

Shipped In

FedEx DG Service

Descripción general

2-Bromobutane is an alkyl halide. Degradation of 2-bromobutane by reductive dehalogenation in the presence of nickel-aluminum alloy in potassium hydroxide solution has been reported. Gas chromatographic determination of 2-bromobutane in mixture of alkyl bromides has been reported. Stereochemistry of dehydrobromination of 2-bromobutane over KOH-silica has been investigated.
2-Bromobutane may be used in the synthesis of series of non-nucleosides.

Specifications

Sinónimos

NSC 8417 | 2-Bromo butane | EINECS 201-140-7 | 2-Bromobutane | DTXCID201499 | J-802068 | SEC-BUTYL BROMIDE, (+/-)- | 2-Bromobutane, purum, >=98.0% (GC) | Methylethylbromomethane | NCGC00258187-01 | Butane, 2-bromo- | AKOS009157105 | 2-Bromobutane sec-Buty

Especificaciones y pureza

≥98%

Condiciones de almacenamiento de almacenamiento

Protected from light,Room temperature

Enviado en

FedEx DG Service

Pureza

≥98%

Nombres e identificadores

Pubchem Sid

504751120

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504751120

Sonrisas canónicas

CCC(C)Br

IUPAC Name

2-bromobutane

InChIKey

UPSXAPQYNGXVBF-UHFFFAOYSA-N

INCHI

1S/C4H9Br/c1-3-4(2)5/h4H,3H2,1-2H3

Isómeros SMILES

CCC(C)Br

WGK Alemania

2

RTECS

EJ6228000

Número ONU

2339

Grupo de embalaje

II

Peso molecular

137.02

Beilstein

505949

Reaxy-Rn

505949

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=505949&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

Mecanismos de acción

Propiedades químicas y físicas

• Sensibilidad: light sensitive
• Índice de refracción: 1.4366
• Punto de inflamación (°F): 21℃
• Punto de inflamación (°C): 21℃
• Punto de ebullición (°C): 91.2°C
• Punto de fusión (°C): -111.9°C
• Peso molecular: 137.020 g/mol
• XLogP3: 2.300
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 1
• Exact Mass: 135.989 Da
• Monoisotopic Mass: 135.989 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 5
• Formal Charge: 0
• Complexity: 19.600
• 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?

This product is supplied at ≥98% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at room temperature, protected from light. The material is light-sensitive — keep it in its original opaque or amber container.

How is this product shipped?

This product is classified as dangerous goods and ships via FedEx DG Service. Ground and other economy services are not available, and delivery to some destinations or address types may be restricted.

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

The CAS Number is 78-76-2, the molecular formula is C4H9Br, and the molecular weight is 137.02 g/mol. InChIKey UPSXAPQYNGXVBF-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.