2-Chloro-5-thiophenecarboxaldehyde

• CAS: 7283-96-7
• Catalog Number: ACM7283967
• Category: Thiophenes
• Molecular Weight: 146.6g/mol
• Molecular Formula: C5H3ClOS
• Synonyms: 5-Chloro-2-thiophene-carboxaldehyde;5-Chlorothiophene-2-carbaldehyde
• IUPAC Name: 5-chlorothiophene-2-carbaldehyde
• Canonical SMILES: C1=C(SC(=C1)Cl)C=O
• InChI: InChI=1S/C5H3ClOS/c6-5-2-1-4(3-7)8-5/h1-3H
• InChI Key: VWYFITBWBRVBSW-UHFFFAOYSA-N
• Boiling Point: 99 °C/21mmHg
• Flash Point: 98 °C
• Density: 1.376 g/mL at 25 °C(lit.)
• Appearance: Yellow Solid or Liquid
• Complexity: 96.4
• Covalently-Bonded Unit Count: 1
• EC Number: 230-708-7
• Exact Mass: 145.959314g/mol
• Formal Charge: 0
• H-Bond Acceptor: 2
• H-Bond Donor: 0
• Heavy Atom Count: 8
• Monoisotopic Mass: 145.959314g/mol
• Rotatable Bond Count: 1
• XLogP3: 2.4

Synthetic Use

Upstream Synthesis Route 1

• 554-14-3
• 96-43-5
• 68-12-2

• 13679-70-4
• 7283-96-7

Reference: [1] Journal of Organic Chemistry, 2010, vol. 75, # 4, p. 1047 - 1060

Upstream Synthesis Route 2

• 17249-82-0

• 7283-96-7

Reference: [1] Molecules, 2018, vol. 23, # 2,
[2] Journal of the American Chemical Society, 1953, vol. 75, p. 988

Upstream Synthesis Route 3

• 96-43-5
• 68-12-2

• 7283-96-7

Reference: [1] Angewandte Chemie - International Edition, 2014, vol. 53, # 30, p. 7933 - 7937

Upstream Synthesis Route 4

• 96-43-5
• 68-12-2

• 7283-96-7

Reference: [1]Patent: CN109422720,2019,A .Location in patent: Paragraph 0047-0055; 0072-0077

Upstream Synthesis Route 5

• 17249-82-0

• 7283-96-7

Reference: [1]Molecules,2018,vol. 23
[2]Journal of the American Chemical Society,1953,vol. 75,p. 988