Cas no 3377-87-5 (3-Bromohexane)

3-Bromohexane (CAS 638-25-5) is a halogenated alkane with the molecular formula C?H??Br. This clear, colorless liquid is commonly utilized as an intermediate in organic synthesis, particularly in alkylation reactions and the preparation of pharmaceuticals or agrochemicals. Its bromine substituent at the 3-position offers selective reactivity, enabling controlled functionalization of the hexane backbone. The compound exhibits moderate volatility and is soluble in common organic solvents, facilitating its use in laboratory and industrial applications. With a defined purity grade, 3-Bromohexane ensures consistent performance in Grignard reactions, nucleophilic substitutions, and other transformations requiring a six-carbon alkyl bromide precursor. Proper handling is advised due to its flammability and potential irritant properties.
3-Bromohexane structure
3-Bromohexane structure
Product Name:3-Bromohexane
CAS No:3377-87-5
MF:C6H13Br
MW:165.071421384811
MDL:MFCD00039181
CID:84722
PubChem ID:87564223
Update Time:2025-05-21

3-Bromohexane Chemical and Physical Properties

Names and Identifiers

    • 3-Bromohexane
    • 3-Bromohexane (contains 2-Bromohexane)(stabilized with Copper chip)
    • 3-Brom-hexan
    • 3-bromo-hexane
    • 3-Bromohexane (contains 2-Bromohexane)
    • 3-Bromohexane (stabilized with Copper chip)
    • 3-Hexyl Bromide
    • 3-Hexyl Bromide (contains 2-Bromohexane)
    • EINECS 222-174-9
    • Hexane,3-bromo
    • 3-Hexyl Bromide (contains 2-Bromohexane) (stabilized with Copper chip)
    • NS00049870
    • AKOS009156550
    • D78429
    • Hexane, 3-bromo-
    • CS-0320329
    • 3377-87-5
    • FT-0615224
    • BP-10278
    • SCHEMBL574546
    • B1289
    • DTXSID20871017
    • MFCD00039181
    • DTXCID50818692
    • DB-048491
    • MDL: MFCD00039181
    • Inchi: 1S/C6H13Br/c1-3-5-6(7)4-2/h6H,3-5H2,1-2H3
    • InChI Key: IOZOJWNUKLCDML-UHFFFAOYSA-N
    • SMILES: BrC(CC)CCC
    • BRN: 1718967

Computed Properties

  • Exact Mass: 164.02000
  • Monoisotopic Mass: 164.02006g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 0
  • Heavy Atom Count: 7
  • Rotatable Bond Count: 3
  • Complexity: 35.2
  • 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
  • Tautomer Count: nothing
  • XLogP3: 3.2
  • Topological Polar Surface Area: 0?2

Experimental Properties

  • Color/Form: Colorless or yellow liquid
  • Density: 1,17 g/cm3
  • Melting Point: -44.22°C (estimate)
  • Boiling Point: 142°C
  • Flash Point: 46°C
  • Refractive Index: 1.4460
  • Water Partition Coefficient: Insoluble in water.
  • PSA: 0.00000
  • LogP: 2.96000
  • Solubility: Unable or difficult to mix

3-Bromohexane Security Information

3-Bromohexane Customs Data

  • HS CODE:2903399090
  • Customs Data:

    China Customs Code:

    2903399090

    Overview:

    2903399090. Fluorination of other acyclic hydrocarbons\Brominated or iodinated derivatives. VAT:17.0%. Tax refund rate:13.0%. Regulatory conditions:nothing. MFN tariff:5.5%. general tariff:30.0%

    Declaration elements:

    Product Name, component content, use to

    Summary:

    2903399090. brominated,fluorinated or iodinated derivatives of acyclic hydrocarbons. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:5.5%. General tariff:30.0%

3-Bromohexane Pricemore >>

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3-Bromohexane Suppliers

Suzhou Senfeida Chemical Co., Ltd
Gold Member
Audited Supplier Audited Supplier
(CAS:3377-87-5)3-bromohexane
Order Number:sfd1712
Stock Status:in Stock
Quantity:200kg
Purity:99.9%
Pricing Information Last Updated:Friday, 19 July 2024 14:32
Price ($):discuss personally

3-Bromohexane Related Literature

Additional information on 3-Bromohexane

Comprehensive Overview of 3-Bromohexane (CAS No. 3377-87-5): Properties, Applications, and Industry Insights

3-Bromohexane (CAS No. 3377-87-5) is a halogenated organic compound widely utilized in synthetic chemistry and industrial applications. With the molecular formula C6H13Br, this bromoalkane derivative is characterized by its clear to pale yellow liquid appearance and moderate volatility. Its unique structure, featuring a bromine atom at the third carbon position of a hexane chain, makes it a versatile intermediate for nucleophilic substitution reactions, particularly in pharmaceuticals and agrochemical synthesis.

In recent years, the demand for 3-Bromohexane has surged due to its role in producing flavor and fragrance compounds, a topic frequently searched in AI-driven chemical databases. Researchers and manufacturers often inquire about its synthesis scalability and green chemistry alternatives, reflecting the industry's shift toward sustainable practices. The compound’s low water solubility (0.1 g/L at 20°C) and boiling point of 152–154°C are critical parameters for process optimization, as highlighted in patent literature and academic journals.

From an analytical perspective, 3-Bromohexane is often identified via GC-MS (Gas Chromatography-Mass Spectrometry) or NMR spectroscopy, techniques commonly discussed in online chemistry forums. Its IR spectrum shows distinct absorption bands near 600 cm?1 (C-Br stretch), a detail frequently queried by spectroscopy enthusiasts. Notably, the compound’s storage stability under inert atmospheres is a recurring theme in supplier FAQs, emphasizing the need for amber glass containers to prevent photodegradation.

The application of 3-Bromohexane extends to organic electronics, where it serves as a precursor for liquid crystal materials—a hotspot in nanotechnology research. This aligns with trending searches on "halogenated compounds in OLEDs" and "high-performance solvents." Additionally, its use in polymer modification has gained traction, particularly for enhancing thermal resistance in specialty plastics, a subject explored in material science webinars.

Regulatory compliance remains a key concern for users. While 3-Bromohexane is not classified as a restricted substance, its handling requires adherence to OSHA guidelines (e.g., ventilation controls). This aspect dominates safety data sheet (SDS) downloads and industrial hygiene training modules. Environmental persistence data (e.g., half-life in soil ≈ 14 days) also features prominently in ecotoxicity studies, addressing queries about biodegradation pathways.

Market trends indicate growing interest in cost-effective bromination methods for 3-Bromohexane production, with catalytic bromine recycling emerging as a search-worthy innovation. Suppliers increasingly highlight batch-to-batch consistency and ultra-high purity grades (≥99.5%) to meet GMP standards—a response to pharmaceutical sector demands. These developments are frequently cited in trade publications like Chemical Weekly and PCI Magazine.

In conclusion, 3-Bromohexane (CAS No. 3377-87-5) exemplifies the intersection of traditional organic synthesis and cutting-edge applications. Its evolving role in green chemistry initiatives and advanced materials ensures sustained relevance, making it a compound of enduring interest across scientific and industrial communities.

Recommended suppliers
Suzhou Senfeida Chemical Co., Ltd
(CAS:3377-87-5)3-bromohexane
sfd1712
Purity:99.9%
Quantity:200kg
Price ($):Inquiry
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