Cas no 26963-41-7 (1-(5-bromothiophen-2-yl)butane-1,3-dione)

1-(5-Bromothiophen-2-yl)butane-1,3-dione is a brominated thiophene derivative featuring a β-diketone functional group, making it a versatile intermediate in organic synthesis. Its structure combines electrophilic reactivity at the bromine site with the chelating properties of the diketone moiety, enabling applications in coordination chemistry and cross-coupling reactions. The compound is particularly useful in the synthesis of heterocyclic frameworks, metal complexes, and functionalized materials. Its stability under standard conditions and well-defined reactivity profile facilitate precise modifications in pharmaceutical and agrochemical research. The presence of both electron-withdrawing (bromine) and electron-donating (thiophene) groups enhances its utility in designing tailored molecular architectures.
1-(5-bromothiophen-2-yl)butane-1,3-dione structure
26963-41-7 structure
Product Name:1-(5-bromothiophen-2-yl)butane-1,3-dione
CAS No:26963-41-7
MF:C8H7BrO2S
MW:247.108980417252
CID:250326
PubChem ID:42614631
Update Time:2025-10-29

1-(5-bromothiophen-2-yl)butane-1,3-dione Chemical and Physical Properties

Names and Identifiers

    • 1,3-Butanedione,1-(5-bromo-2-thienyl)-
    • 1-(5-BROMOTHIOPHEN-2-YL)BUTANE-1,3-DIONE
    • EN300-1126152
    • DTXSID90655184
    • AKOS010227222
    • 26963-41-7
    • (2-Chlorophenyl)cyclopropylmethyl-aminehydrochloride
    • SCHEMBL14624168
    • 1-(5-bromothiophen-2-yl)butane-1,3-dione
    • Inchi： 1S/C8H7BrO2S/c1-5(10)4-6(11)7-2-3-8(9)12-7/h2-3H,4H2,1H3
    • InChI Key： JXDALOQSBZBJTM-UHFFFAOYSA-N
    • SMILES： BrC1=CC=C(C(CC(C)=O)=O)S1

Computed Properties

  • Exact Mass: 245.93501
  • Monoisotopic Mass: 245.935
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 12
  • Rotatable Bond Count: 3
  • Complexity: 205
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 62.4A^2
  • XLogP3: 2.5

Experimental Properties

  • Density: 1.576
  • Boiling Point: 349.1°Cat760mmHg
  • Flash Point: 164.9°C
  • Refractive Index: 1.572
  • PSA: 34.14

1-(5-bromothiophen-2-yl)butane-1,3-dione Pricemore >>

Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
Enamine
EN300-1126152-0.05g
1-(5-bromothiophen-2-yl)butane-1,3-dione
 26963-41-7 95%
0.05g
 $348.0 2023-10-26
Enamine
EN300-1126152-0.1g
1-(5-bromothiophen-2-yl)butane-1,3-dione
 26963-41-7 95%
0.1g
 $364.0 2023-10-26
Enamine
EN300-1126152-0.25g
1-(5-bromothiophen-2-yl)butane-1,3-dione
 26963-41-7 95%
0.25g
 $381.0 2023-10-26
Enamine
EN300-1126152-0.5g
1-(5-bromothiophen-2-yl)butane-1,3-dione
 26963-41-7 95%
0.5g
 $397.0 2023-10-26
Enamine
EN300-1126152-1.0g
1-(5-bromothiophen-2-yl)butane-1,3-dione
 26963-41-7
1g
 $728.0 2023-05-23
Enamine
EN300-1126152-2.5g
1-(5-bromothiophen-2-yl)butane-1,3-dione
 26963-41-7 95%
2.5g
 $810.0 2023-10-26
Enamine
EN300-1126152-5.0g
1-(5-bromothiophen-2-yl)butane-1,3-dione
 26963-41-7
5g
 $2110.0 2023-05-23
Enamine
EN300-1126152-10.0g
1-(5-bromothiophen-2-yl)butane-1,3-dione
 26963-41-7
10g
 $3131.0 2023-05-23
Enamine
EN300-1126152-1g
1-(5-bromothiophen-2-yl)butane-1,3-dione
 26963-41-7 95%
1g
 $414.0 2023-10-26
Enamine
EN300-1126152-5g
1-(5-bromothiophen-2-yl)butane-1,3-dione
 26963-41-7 95%
5g
 $1199.0 2023-10-26

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