Cas no 3377-87-5 (3-Bromohexane)
3-Bromohexane Chemical and Physical Properties
Names and Identifiers
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- 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
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- 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
-
Symbol:
- Prompt:warning
- Hazard Statement: H226
- Warning Statement: P210-P233-P240-P241+P242+P243-P280-P303+P361+P353-P403+P235-P501
- Hazardous Material transportation number:1993
- Hazard Category Code: 10
- Safety Instruction: S23-S24/25
- HazardClass:3
- PackingGroup:III
- TSCA:Yes
- Risk Phrases:R10
- Packing Group:III
- Safety Term:3
- Packing Group:III
- Hazard Level:3
3-Bromohexane Customs Data
- HS CODE:2903399090
- Customs Data:
China Customs Code:
2903399090Overview:
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 >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| TI XI AI ( SHANG HAI ) HUA CHENG GONG YE FA ZHAN Co., Ltd. | B1289-10G |
3-Bromohexane (contains 2-Bromohexane) (stabilized with Copper chip) |
3377-87-5 | >80.0%(GC) | 10g |
¥1270.00 | 2024-04-16 | |
| SHANG HAI A LA DING SHENG HUA KE JI GU FEN Co., Ltd. | B152444-10g |
3-Bromohexane (contains 2-Bromohexane) (stabilized with Copper chip) |
3377-87-5 | >80.0%(GC) | 10g |
¥639.00 | 2021-05-24 | |
| SHANG HAI A LA DING SHENG HUA KE JI GU FEN Co., Ltd. | B152444-25g |
3-Bromohexane (contains 2-Bromohexane) (stabilized with Copper chip) |
3377-87-5 | >80.0%(GC) | 25g |
¥1,270.00 | 2021-05-24 | |
| SHANG HAI A LA DING SHENG HUA KE JI GU FEN Co., Ltd. | B152444-5g |
3-Bromohexane |
3377-87-5 | ≥80.0%(GC) | 5g |
¥759.90 | 2023-09-04 | |
| Apollo Scientific | OR322159-10g |
3-Bromohexane |
3377-87-5 | 80% | 10g |
£272.00 | 2025-02-19 | |
| SHANG HAI XIAN DING Biotechnology Co., Ltd. | CK002-1g |
3-Bromohexane |
3377-87-5 | 80.0%(GC) | 1g |
¥241.0 | 2022-06-10 | |
| Chemenu | CM397076-10g |
3-BROMOHEXANE |
3377-87-5 | 95%+ | 10g |
$169 | 2023-02-02 | |
| eNovation Chemicals LLC | D963355-10g |
3-Bromohexane |
3377-87-5 | 80.0% | 10g |
$210 | 2024-06-07 | |
| SHANG HAI HAO HONG Biomedical Technology Co., Ltd. | 1390999-10g |
3-Bromohexane |
3377-87-5 | 95% (stabilized with Copper chip) | 10g |
¥1303.00 | 2024-05-18 | |
| A FA AI SHA , SAI MO FEI SHI ER KE JI QI XIA GONG SI | L00818-5g |
3-Bromohexane, 97% |
3377-87-5 | 97% | 5g |
¥1185.00 | 2023-02-24 |
3-Bromohexane Suppliers
3-Bromohexane Related Literature
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Sergey Makarychev-Mikhailov,Andrey Legin,John Mortensen,Sergey Levitchev,Yuri Vlasov Analyst 2004 129 213
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2. Molecular acoustics. Part 2.—Ultrasonic relaxation in some halogenoalkanesT. H. Thomas,E. Wyn-Jones,W. J. Orville-Thomas Trans. Faraday Soc. 1969 65 974
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3. 720. Researches on acetylenic compounds. Part XXVI. Further Reformatsky reactions with propargyl bromidesH. B. Henbest,E. R. H. Jones,I. M. S. Walls J. Chem. Soc. 1950 3646
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4. Study of the conformational equilibria between rotational isomers using ultrasonic relaxation and Raman spectroscopy. Part 2.—Di- and tri-halogenoalkanesHiroyasu Nomura,Shinobu Koda,Kazuyuki Hamada J. Chem. Soc. Faraday Trans. 1 1988 84 1267
Related Categories
- Solvents and Organic Chemicals Organic Compounds Organohalogen compounds Organobromides Organobromides
- Solvents and Organic Chemicals Organic Compounds Organohalogen compounds Organobromides
- Solvents and Organic Chemicals Organic Compounds Organic Halides
- Solvents and Organic Chemicals Organic Compounds Acids/Esters
- Solvents and Organic Chemicals Organic Compounds Hydrocarbons
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.