Cas no 107-80-2 (1,3-Dibromobutane)

1,3-Dibromobutane (CAS 107-80-2) is a brominated alkane with the molecular formula C?H?Br?. This colorless to pale yellow liquid is primarily used as an intermediate in organic synthesis, particularly in the preparation of pharmaceuticals, agrochemicals, and specialty chemicals. Its two reactive bromine atoms allow for selective substitution or elimination reactions, making it a versatile building block for constructing more complex molecular structures. The compound exhibits moderate stability under standard conditions but should be handled with care due to its potential lachrymatory effects and sensitivity to light and heat. Its balanced reactivity and predictable behavior in nucleophilic reactions make it a valuable reagent in synthetic chemistry applications.
1,3-Dibromobutane structure
1,3-Dibromobutane structure
Product Name:1,3-Dibromobutane
CAS No:107-80-2
MF:C4H8Br2
MW:215.914319992065
MDL:MFCD00000152
CID:35450
PubChem ID:7889
Update Time:2025-10-23

1,3-Dibromobutane Chemical and Physical Properties

Names and Identifiers

    • 1,3-Dibromobutane
    • 1,3-Butylene bromide
    • 1.3-Dibromobutane
    • 1,3-Dibrom-butan
    • 1,3-dibromo-1-methylpropane
    • Butane,1,3-dibromo
    • (?à)-1,3-Dibromobutane
    • 1,3-Dibrombutan
    • 1,3-dibromo-butan
    • butane,1,3-dibromo-
    • 1,3-DIBROMOBUTANE, 98+%
    • 1,3-Dibromobutane, 97+%
    • Butane, 1,3-dibromo-
    • 1,3 dibromobutane
    • 1,3-Butylenebromide
    • XZNGUVQDFJHPLU-UHFFFAOYSA-N
    • 1,3-dibromo-butane
    • 1,3-dibromo butane
    • PubChem3866
    • 1,3-bis(bromanyl)butane
    • Jsp000690
    • BR1240
    • RP269
    • NE10009
    • AS03525
    • I819
    • BC002647
    • D0175
    • A801757
    • SCHEMBL1137164
    • 1,3-Dibromobutane, 97%
    • MFCD00000152
    • FT-0606629
    • J-802012
    • 107-80-2
    • E76659
    • NS00041138
    • EINECS 203-520-8
    • EN300-96351
    • AS-56895
    • AKOS015915033
    • DTXSID30870455
    • 1 pound not3-Dibromobutane
    • J-503886
    • CS-0186296
    • DTXCID50818177
    • 1,3Butylenebromide
    • Butane, 1,3dibromo
    • DB-040783
    • MDL: MFCD00000152
    • Inchi: 1S/C4H8Br2/c1-4(6)2-3-5/h4H,2-3H2,1H3
    • InChI Key: XZNGUVQDFJHPLU-UHFFFAOYSA-N
    • SMILES: BrC(C)CCBr
    • BRN: 1731231

Computed Properties

  • Exact Mass: 213.89900
  • Monoisotopic Mass: 213.899
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 0
  • Heavy Atom Count: 6
  • Rotatable Bond Count: 2
  • Complexity: 28.7
  • 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
  • Tautomer Count: nothing
  • XLogP3: 2.5
  • Topological Polar Surface Area: 0

Experimental Properties

  • Color/Form: Colorless transparent liquid
  • Density: 1.8?g/mL?at 25?°C(lit.)
  • Melting Point: -25.98°C (estimate)
  • Boiling Point: 175?°C(lit.)
  • Flash Point: 173-176°C
  • Refractive Index: n20/D 1.5080(lit.)
  • Water Partition Coefficient: Insoluble
  • PSA: 0.00000
  • LogP: 2.55480
  • FEMA: 2583
  • Sensitiveness: Sensitive to air
  • Solubility: Not determined

1,3-Dibromobutane Security Information

  • Symbol: GHS07
  • Prompt:warning
  • Signal Word:Warning
  • Hazard Statement: H315-H319
  • Warning Statement: P305 + P351 + P338
  • Hazardous Material transportation number:2810
  • WGK Germany:3
  • Hazard Category Code: 36/37/38
  • Safety Instruction: S26-S36-S37/39
  • Hazardous Material Identification: Xi
  • Packing Group:III
  • Hazard Level:6.1(b)
  • Safety Term:6.1(b)
  • Packing Group:III
  • Risk Phrases:R36/38
  • HazardClass:6.1(b)
  • PackingGroup:III
  • TSCA:Yes
  • Storage Condition:Store in a cool, dry place. Store in tightly closed containers.

1,3-Dibromobutane Customs Data

  • HS CODE:29033036
  • Customs Data:

    China Customs Code:

    29033036

1,3-Dibromobutane Pricemore >>

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1,3-Dibromobutane Suppliers

Jiangsu Xinsu New Materials Co., Ltd
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Quantity:25KG,200KG,1000KG
Purity:99%
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Suzhou Senfeida Chemical Co., Ltd
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(CAS:107-80-2)1,3-Dibromobutane
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Purity:99%
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Tiancheng Chemical (Jiangsu) Co., Ltd
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(CAS:107-80-2)1,3-二溴丁烷
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Purity:99%
Pricing Information Last Updated:Friday, 20 June 2025 12:40
Price ($):discuss personally

1,3-Dibromobutane Related Literature

Additional information on 1,3-Dibromobutane

1,3-Dibromobutane (CAS No. 107-80-2): A Comprehensive Overview

1,3-Dibromobutane (CAS No. 107-80-2) is an organic compound belonging to the family of alkyl bromides. It is a four-carbon chain with bromine atoms attached to the first and third carbons, making it a dibromoalkane. This compound is widely studied in various fields, including organic chemistry, materials science, and environmental chemistry, due to its unique properties and applications.

The molecular formula of 1,3-dibromobutane is C?H?Br?, and its molecular weight is approximately 205.89 g/mol. The compound exists as a colorless liquid at room temperature with a boiling point of around 95°C and a density of 1.4 g/cm3. Its solubility in water is low, but it is miscible with organic solvents such as dichloromethane and chloroform.

Synthesis and Properties

1,3-Dibromobutane can be synthesized through various methods, including the bromination of butene derivatives or the addition of bromine to alkenes in the presence of appropriate catalysts. Recent studies have explored the use of palladium-catalyzed cross-coupling reactions to synthesize this compound more efficiently, which has opened new avenues for its production on an industrial scale.

The compound exhibits moderate reactivity due to the presence of two bromine atoms, which can act as leaving groups in substitution reactions. This property makes 1,3-dibromobutane a valuable intermediate in the synthesis of various organic compounds, including pharmaceuticals and agrochemicals.

Applications in Organic Chemistry

One of the most significant applications of 1,3-dibromobutane is in the synthesis of biologically active molecules. For instance, it serves as a key intermediate in the production of certain antibiotics and antiviral agents. Recent research has highlighted its role in the development of novel drug delivery systems, where its ability to form stable complexes with biomolecules has proven advantageous.

In materials science, 1,3-dibromobutane is used as a precursor for the synthesis of polymers and advanced materials. Its ability to undergo polymerization under specific conditions has led to its use in creating high-performance polymers for applications in electronics and aerospace industries.

Environmental Impact and Safety Considerations

Despite its wide range of applications, 1,3-dibromobutane poses certain environmental and safety concerns. Studies have shown that it can degrade in the environment through hydrolysis and microbial action; however, its persistence depends on environmental conditions such as temperature and pH levels.

Recent research has focused on understanding the toxicological effects of 1,3-dibromobutane on aquatic organisms and terrestrial ecosystems. Findings suggest that while it does not exhibit acute toxicity at low concentrations, chronic exposure may lead to sublethal effects on aquatic life.

In terms of safety handling, 1,3-dibromobutane should be stored in tightly sealed containers away from moisture and heat sources. Proper ventilation should be ensured when working with this compound to minimize exposure risks.

Future Prospects and Research Directions

The future outlook for 1,3-dibromobutane appears promising due to ongoing advancements in green chemistry and sustainable synthesis methods. Researchers are exploring ways to reduce waste generation during its production by employing catalytic processes that minimize byproduct formation.

Additionally, there is growing interest in utilizing 1,3-dibromobutane for energy-related applications such as lithium-ion batteries and fuel cells. Its unique electronic properties make it a potential candidate for developing advanced electrode materials with enhanced performance characteristics.

In conclusion, 1,3-dibromobutane (CAS No. 107-80-2) remains an important compound with diverse applications across multiple disciplines. Continued research into its synthesis methods

Recommended suppliers
Jiangsu Xinsu New Materials Co., Ltd
(CAS:107-80-2)
SFD2203
Purity:99%
Quantity:25KG,200KG,1000KG
Price ($):Inquiry
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Suzhou Senfeida Chemical Co., Ltd
(CAS:107-80-2)1,3-Dibromobutane
sfd21412
Purity:99%
Quantity:200KG
Price ($):Inquiry
Email