Cas no 1974-04-5 (2-Bromoheptane)

2-Bromoheptane (C?H??Br) is a halogenated alkane commonly utilized as an intermediate in organic synthesis and pharmaceutical manufacturing. Its primary advantage lies in its reactivity as an alkylating agent, facilitating the introduction of heptyl groups in nucleophilic substitution reactions. The compound's well-defined structure and moderate volatility make it suitable for controlled reactions in laboratory and industrial settings. It is often employed in the preparation of more complex organic molecules, including surfactants and agrochemicals. 2-Bromoheptane is typically stored under inert conditions to maintain stability, and its purity is critical for consistent performance in synthetic applications. Proper handling is required due to its potential flammability and irritant properties.
2-Bromoheptane structure
2-Bromoheptane structure
Product Name:2-Bromoheptane
CAS No:1974-04-5
MF:C7H15Br
MW:179.098001718521
MDL:MFCD00000164
CID:42243
PubChem ID:24857582
Update Time:2025-09-27

2-Bromoheptane Chemical and Physical Properties

Names and Identifiers

    • 2-Bromoheptane
    • 2-BROMOHEPTANE, TECH.
    • 1-Methylhexyl bromide
    • 2-bromanylheptane
    • 2-Brom-heptan
    • 2-heptyl bromide
    • d,l-2-bromoheptane
    • Heptane,2-bromo
    • (?à)-2-Bromoheptane
    • NSC 11768
    • AKOS009157870
    • (1-methyl) hexylbromide
    • DTXSID40870921
    • Heptane, 2-bromo-
    • A813910
    • EINECS 217-824-3
    • SCHEMBL1896962
    • (1-methyl)hexylbromide
    • FT-0611326
    • 2-Bromoheptane, technical grade
    • 6-bromoheptane
    • NS00045381
    • J-508521
    • NSC-11768
    • MFCD00000164
    • NSC11768
    • 1974-04-5
    • DB-044953
    • DTXCID00818602
    • MDL: MFCD00000164
    • Inchi: 1S/C7H15Br/c1-3-4-5-6-7(2)8/h7H,3-6H2,1-2H3
    • InChI Key: HLAUCEOFCOXKNF-UHFFFAOYSA-N
    • SMILES: BrC(C)CCCCC

Computed Properties

  • Exact Mass: 178.03600
  • Monoisotopic Mass: 178.036
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 0
  • Heavy Atom Count: 8
  • Rotatable Bond Count: 4
  • Complexity: 43.7
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 1
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Surface Charge: 0
  • XLogP3: 3.8
  • Topological Polar Surface Area: 0

Experimental Properties

  • Color/Form: colorless liquid
  • Density: 1.142?g/mL?at 25?°C(lit.)
  • Melting Point: 47°C
  • Boiling Point: 64-66?°C/21?mmHg(lit.)
  • Flash Point: Fahrenheit: 129.2 ° f
    Celsius: 54 ° c
  • Refractive Index: n20/D 1.447(lit.)
  • PSA: 0.00000
  • LogP: 3.35010
  • Solubility: Insoluble in water I

2-Bromoheptane Security Information

  • Symbol: GHS02 GHS07
  • Signal Word:Warning
  • Hazard Statement: H226-H315-H319-H335
  • Warning Statement: P261-P305+P351+P338
  • Hazardous Material transportation number:UN 1993 3/PG 3
  • WGK Germany:3
  • Hazard Category Code: 10-36/37/38
  • Safety Instruction: S16; S26; S36/37/39
  • Hazardous Material Identification: Xi
  • Packing Group:III
  • Hazard Level:3.2
  • Safety Term:3.2
  • Packing Group:III
  • Risk Phrases:R10; R36/37/38
  • HazardClass:3.2
  • PackingGroup:III
  • Storage Condition:LOGP:3.35010

2-Bromoheptane Pricemore >>

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2-Bromoheptane Related Literature

Additional information on 2-Bromoheptane

Chemical Profile of 2-Bromoheptane (CAS No. 1974-04-5)

2-Bromoheptane, with the chemical formula C7H15Br, is a brominated aliphatic hydrocarbon belonging to the class of haloalkanes. This compound, identified by its CAS number 1974-04-5, is widely utilized in organic synthesis and pharmaceutical research due to its versatile reactivity and structural properties. Its molecular structure consists of a seven-carbon chain substituted with a bromine atom at the second carbon position, making it a valuable intermediate in the synthesis of more complex molecules.

The applications of 2-bromoheptane span across multiple domains, particularly in the field of medicinal chemistry. Its unique bromine substituent allows for further functionalization via nucleophilic substitution reactions, enabling the construction of carbon-carbon bonds essential for drug development. Recent advancements in synthetic methodologies have highlighted its role in constructing biaryl structures, which are prevalent in many pharmacologically active compounds. For instance, studies have demonstrated its utility in the preparation of substituted biphenyls through cross-coupling reactions, underscoring its importance as a building block in modern medicinal chemistry.

In the realm of pharmaceutical research, 2-bromoheptane has been explored as a precursor for the synthesis of novel therapeutic agents. Its structural motif is found in several compounds under investigation for their potential antimicrobial and anti-inflammatory properties. The bromine atom's position on the heptane chain facilitates selective modifications, allowing chemists to tailor molecular properties such as solubility and bioavailability. This adaptability has made it a subject of interest in high-throughput screening programs aimed at identifying lead compounds for drug discovery.

The industrial significance of CAS No 1974-04-5, or 2-bromoheptane, extends beyond pharmaceuticals into agrochemicals and specialty chemicals. In agrochemical research, it serves as a key intermediate in the synthesis of brominated pesticides and herbicides, where its reactivity contributes to the development of compounds that exhibit enhanced efficacy against pests while maintaining environmental safety profiles. Additionally, its use in polymer chemistry has been explored, particularly in the production of flame-retardant materials where brominated compounds are known to improve fire resistance.

From an environmental perspective, the handling and disposal of 2-bromoheptane must be conducted with adherence to stringent safety protocols to ensure minimal ecological impact. While it is not classified as a hazardous material under standard regulatory frameworks, proper ventilation and personal protective equipment are recommended during laboratory or industrial-scale operations to mitigate any potential health risks associated with prolonged exposure. Research into greener synthetic routes for brominated compounds continues to evolve, with efforts focused on reducing waste and improving energy efficiency in their production.

The future prospects for 2-Bromoheptane (CAS No 1974-04-5) are promising, particularly as advancements in synthetic chemistry enable more efficient and sustainable methods for its preparation and utilization. Collaborative efforts between academia and industry are likely to drive innovation in its applications, further solidifying its role as a cornerstone compound in chemical research and development. As new methodologies emerge, such as transition-metal-catalyzed reactions and biocatalysis, the versatility of 2-bromoheptane is expected to expand into novel areas yet unexplored.

In summary, 2-bromoheptane stands as a testament to the importance of intermediates in advancing chemical science. Its widespread use across pharmaceuticals, agrochemicals, and specialty chemicals underscores its significance as a building block for innovation. As research progresses, continued exploration into its applications will undoubtedly yield further breakthroughs that benefit society through improved health outcomes and sustainable industrial practices.

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