2-Bromopentane - ≥95% , CAS No.107-81-3

CAS: 107-81-3 Cat. No.: B400517 Peso molecular: 151.04 Beilstein Registry Number: 1718829 Número EC: 203-521-3

GRADE & PURITY ≥95%

Synonyms

2-BROMOPENTANE|107-81-3|Pentane, 2-bromo-|2-Pentyl bromide|(+/-)-2-Bromopentane|NSC 7896|130321-66-3|1-methylbutyl bromide|sec-amyl bromide|EINECS 203-521-3|UN2343|BRN 1718829|2-bromo-pentane|2-bromanylpentane|MFCD00000160|2-Bromopentane, 95%|SCHEMBL83800

Storage

Room temperature,Argon charged

Shipped In

FedEx DG Service

Descripción general

application：

2-Bromopentane is a compound useful in organic synthesis, that has been used in the meta-selective C-H bond alkylation with Ruthenium catalysts.

Specifications

Sinónimos

2-BROMOPENTANE | 107-81-3 | Pentane, 2-bromo- | 2-Pentyl bromide | (+/-)-2-Bromopentane | NSC 7896 | 130321-66-3 | 1-methylbutyl bromide | sec-amyl bromide | EINECS 203-521-3 | UN2343 | BRN 1718829 | 2-bromo-pentane | 2-bromanylpentane | MFCD00000160 | 2-Bromopentane, 95% | SCHEMBL83800

Especificaciones y pureza

≥95%

Condiciones de almacenamiento de almacenamiento

Room temperature, Argon charged

Enviado en

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

Pureza

≥95%

Nombres e identificadores

• Pubchem Sid: 488180597
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488180597
• Sonrisas canónicas: CCCC(C)Br
• IUPAC Name: 2-bromopentane
• InChIKey: LGAJYTCRJPCZRJ-UHFFFAOYSA-N
• INCHI: 1S/C5H11Br/c1-3-4-5(2)6/h5H,3-4H2,1-2H3
• Isómeros SMILES: CCCC(C)Br
• WGK Alemania: 3
• RTECS: RZ9800000
• Número ONU: 2343
• Grupo de embalaje: II
• Peso molecular: 151.04
• Beilstein: 1718829
• Reaxy-Rn: 1718829
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1718829&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: Insoluble in water, soluble in methanol, acetone, benzene, ether, carbon tetrachloride.
• Índice de refracción: 1.4403
• Punto de inflamación (°F): 68 °F
• Punto de inflamación (°C): 20 °C
• Punto de ebullición (°C): 117°C
• Punto de fusión (°C): -96℃
• Peso molecular: 151.040 g/mol
• XLogP3: 2.700
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 2
• Exact Mass: 150.004 Da
• Monoisotopic Mass: 150.004 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 6
• Formal Charge: 0
• Complexity: 27.100
• 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

Referencias

1. Kaixin Li, Limin Deng, Shun Yi, Yabo Wu, Guangjie Xia, Jun Zhao, Dong LU, Yonggang Min.  (2021)  Boosting the performance by the water solvation shell with hydrogen bonds on protonic ionic liquids: insights into the acid catalysis of the glycosidic bond.  Catalysis Science & Technology,  11  (10): (3527-3538).  [PMID:] [10.1039/D0CY02459G]

2. Li-rong Nie, Hang Song, Alula Yohannes, Siwei Liang, Shun Yao.  (2018)  Extraction in cholinium-based magnetic ionic liquid aqueous two-phase system for the determination of berberine hydrochloride in Rhizoma coptidis.  RSC Advances,  8  (44): (25201-25209).  [PMID:35542128] [10.1039/C8RA01745J]

3. Junlian Wang, Shengming Xu, Linyan Li, Jing Li.  (2013)  Synthesis of organic phosphinic acids and studies on the relationship between their structure and extraction–separation performance of heavy rare earths from HNO3 solutions.  HYDROMETALLURGY,      [PMID:] [10.1016/j.hydromet.2013.05.010]

4. Zhuang-Zhuang Li, Jia-Qi Wu, Qing He, Si-Wen Li, Wei Wang, Jian-She Zhao.  (2024)  Biomimetic supported polyoxometalate structures designed and its applications for the ultra-deep oxidative desulfurization of fuels.  SEPARATION AND PURIFICATION TECHNOLOGY,      [PMID:] [10.1016/j.seppur.2024.129958]

5. Jia-Qi Wu, Qing He, Zhuang-Zhuang Li, Si-Wen Li, Wei Wang, Jian-She Zhao.  (2025)  Enhanced catalytic oxidative depolymerization of lignin to aromatic compounds by activated carbon-supported polyoxometalate-ionic liquid catalysts.  INTERNATIONAL JOURNAL OF BIOLOGICAL MACROMOLECULES,      [PMID:40907922] [10.1016/j.ijbiomac.2025.147341]