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

CAS: 78-76-2 Cat. No.: B109118 Molecular Weight: 137.02 Beilstein Registry Number: 505949 EC Number: 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

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Overview

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

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

Specifications & Purity

≥98%

Storage

Protected from light, Room temperature

Shipped In

FedEx DG Service

Purity

≥98%

Names and Identifiers

• Pubchem Sid: 504751120
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504751120
• Canonical Smiles: CCC(C)Br
• IUPAC Name: 2-bromobutane
• InChIKey: UPSXAPQYNGXVBF-UHFFFAOYSA-N
• INCHI: 1S/C4H9Br/c1-3-4(2)5/h4H,3H2,1-2H3
• Isomeric SMILES: CCC(C)Br
• WGK Germany: 2
• RTECS: EJ6228000
• UN Number: 2339
• Packing Group: II
• Molecular Weight: 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
    • 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

Mechanisms of Action

Chemical and Physical Properties

• Sensitivity: light sensitive
• Refractive Index: 1.4366
• Flash Point(°F): 21℃
• Flash Point(°C): 21℃
• Boil Point(°C): 91.2°C
• Melt Point(°C): -111.9°C
• Molecular Weight: 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

References

1. Ting Xu, Zihan Xue, Xinhui Li, Miaomiao Zhang, Ruige Yang, Shangshang Qin, Yong Guo.  (2025)  Development of Membrane-Targeting Osthole Derivatives Containing Pyridinium Quaternary Ammonium Moieties with Potent Anti-Methicillin-Resistant Staphylococcus aureus Properties.  JOURNAL OF MEDICINAL CHEMISTRY,      [PMID:40205941] [10.1021/acs.jmedchem.4c03167]