2,5-Dibromothiophene

• CAS: 3141-27-3
• Catalog Number: ACM3141273
• Category: Thiophenes
• Molecular Weight: 241.93g/mol
• Molecular Formula: C4H2Br2S
• Synonyms: Thiophene, 2,5-dibromo-;2,5-dibromo-thiophene
• IUPAC Name: 2,5-dibromothiophene
• Canonical SMILES: C1=C(SC(=C1)Br)Br
• InChI: InChI=1S/C4H2Br2S/c5-3-1-2-4(6)7-3/h1-2H
• InChI Key: KBVDUUXRXJTAJC-UHFFFAOYSA-N
• Boiling Point: 210.3 °C
• Melting Point: -6.0 °C
• Flash Point: 99 °C
• Density: 2.147 g/mL at 25 °C(lit.)
• Appearance: Colorless Clear Liquid
• Complexity: 58.7
• Covalently-Bonded Unit Count: 1
• EC Number: 221-547-3
• Exact Mass: 241.82235g/mol
• Formal Charge: 0
• H-Bond Acceptor: 1
• H-Bond Donor: 0
• Heavy Atom Count: 7
• Monoisotopic Mass: 239.8244g/mol
• NSC Number: 4488
• Rotatable Bond Count: 0
• UNII: F0033K8CXM
• XLogP3: 3.7

Synthetic Use

Upstream Synthesis Route 1

• 188290-36-0

• 1003-09-4
• 3141-27-3

Reference: [1] Chemische Berichte, 1883, vol. 16, p. 1469,1472

Downstream Synthesis Route 1

• 3141-27-3

• 1003-09-4

Reference: [1] Justus Liebigs Annalen der Chemie, 1912, vol. 393, p. 224
[2] Bl.Univ.Osaka Prefect., 1958, vol. 6, p. 127,128,130
[3] Molecules, 2013, vol. 18, # 1, p. 398 - 407
[4] Journal of Organometallic Chemistry, 2013, vol. 729, p. 53 - 59

Downstream Synthesis Route 2

• 3141-27-3

• 188290-36-0
• 1003-09-4

Reference: [1] Chemistry of Heterocyclic Compounds (New York, NY, United States), 1982, vol. 18, # 2, p. 130 - 133[2] Khimiya Geterotsiklicheskikh Soedinenii, 1982, vol. 18, # 2, p. 171 - 175

Downstream Synthesis Route 3

• 3141-27-3

• 29504-81-2

Reference: [1]Justus Liebigs Annalen der Chemie,1934,vol. 512,p. 136,156
[2]Patent: EP510473,1992,A1

Downstream Synthesis Route 4

• 3141-27-3

• 3141-24-0

Reference: [1]Zeitschrift fur physikalische Chemie (Neue Folge),1981,vol. 127,p. 13 - 22
[2]Chemische Berichte,1885,vol. 18,p. 1774
[3]Chemische Berichte,1894,vol. 27,p. 2837
[4]Arkiv foer Kemi,1957,vol. 11,p. 373,379, 380

Downstream Synthesis Route 5

• 3141-27-3

• 162607-17-2

Reference: [1]Weitz
[Chemische Berichte, 1884, vol. 17, p. 794]

* For details of the synthesis route, please refer to the original source to ensure accuracy.