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

CAS: 107-81-3 Cat. No.: B400517 Molecular Weight: 151.04 Beilstein Registry Number: 1718829 EC Number: 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

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Overview

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

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

Specifications & Purity

≥95%

Storage

Room temperature, Argon charged

Shipped In

FedEx DG Service

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥95%

Names and Identifiers

• Pubchem Sid: 488180597
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488180597
• Canonical Smiles: 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
• Isomeric SMILES: CCCC(C)Br
• WGK Germany: 3
• RTECS: RZ9800000
• UN Number: 2343
• Packing Group: II
• Molecular Weight: 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
    • Class Organobromides

• Kingdom: Organic compounds
• Superclass: Organohalogen compounds
• Class: 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
• Description: 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

Chemical and Physical Properties

• Solubility: Insoluble in water, soluble in methanol, acetone, benzene, ether, carbon tetrachloride.
• Refractive Index: 1.4403
• Flash Point(°F): 68 °F
• Flash Point(°C): 20 °C
• Boil Point(°C): 117°C
• Melt Point(°C): -96℃
• Molecular Weight: 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

References

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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]