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CAS Number: 21512-16-3
5-formylthiophene-2-carbonitrile

Structure

5-formylthiophene-2-carbonitrile
Name: 5-formylthiophene-2-carbonitrile
Synonyms:
General Information
Product Number: 21512163

CAS Registry Number 21512-16-3
Name:
2-​Thiophenecarbonitril​e, 5-​formyl-
2-Thiophenecarboxaldehyde, 5-cyano- (6CI,7CI)
5-Formyl-2-thiophenecarbonitrile

 

Chemical Formula: C6H3NOS
Exact Mass: 136.99
Molecular Weight: 137.16
m/z: 136.99 (100.0%), 138.00 (6.6%), 138.99 (4.5%), 137.99 (1.2%)

 

InChI:InChI=1S/C6H3NOS/c7-3-5-1-2-6(4-8)9-5/h1-2,4H

InChI Key:PZIFYWVUYHMYOA-UHFFFAOYSA-N

Canonical SMILES:C1=C(SC(=C1)C#N)C=O

 

Thermal Properties Value Condition Note
Boiling Point 130-135 °C Press: 1.2 Torr (1)CAS
Melting Point 96-97 °C   (4)CAS
Melting Point 96-97 °C   (5)CAS
Melting Point 94 °C   (1)CAS
Melting Point 93-94 °C   (6)CAS
Melting Point 93-94 °C   (7)CAS
Melting Point 89 °C   (3)IC

Specification

98%

References
  1. (1) GB 1127064 1968 CAPLUS
  2. (3) Dubus, Pierre; Bulletin de la Societe Chimique de France 1976, (3-4, Pt. 2), P628-34 CAPLUS
  3. (4) Vecchi, Alberto; Journal of Organic Chemistry 1957, V22, P1636-40 CAPLUS
  4. (5) Vecchi, Alberto; GB 825241 1959 CAPLUS
  5. (6) GB 815890 1959 CAPLUS
  6. (7) S.p.A., Lepetit; US 2993834 1956 CAPLUS
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