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CAS Number: 19933-24-5
3-(thiophen-2-yl)-1H-pyrazole

Structure

3-(thiophen-2-yl)-1H-pyrazole
Name: 3-(thiophen-2-yl)-1H-pyrazole
Synonyms:
General Information
Product Number: 19933245
CAS Registry Number: 19933-24-5
Name:
1H-​Pyrazole, 3-​(2-​thienyl)​-
 3-​(2-​Thienyl)​pyrazole 
 Deleted CAS Registry Numbers: 59843-​86-​6, 73039-​39-​1, 190579-​94-​3, 219863-​71-​5
 
Chemical Formula: C7H6N2S
Exact Mass: 150.03
Molecular Weight: 150.20
m/z: 150.03 (100.0%), 151.03 (7.6%), 152.02 (4.5%), 151.02 (1.5%)
Elemental Analysis: C, 55.97; H, 4.03; N, 18.65; S, 21.35
 
InChI: InChI=1S/C7H6N2S/c1-2-7(10-5-1)6-3-4-8-9-6/h1-5H,(H,8,9)
InChIKey: TVNDPZYOQCCHTJ-UHFFFAOYSA-N
Canonical SMILES : C1=CSC(=C1)C2=CC=NN2
 
Thermal Properties Value Condition Note
Boiling Point 120-124 °C Press: 10 Torr (1)CAS
Melting Point 98-99 °C Solv: ligroine (8032-32-4) (1)CAS
Melting Point 94-96 °C   (5)CAS
Melting Point 90-92 °C Solv: ligroine (8032-32-4); ethyl acetate (141-78-6) (3)CAS

Specification

98%

References
  1. (1) Gronowitz, Salo; Acta Pharmaceutica Suecica 1968, V5(3), P163-76 CAPLUS
  2. (2) WSS: Spectral data were obtained from Wiley Subscription Services, Inc. (US)
  3. (3) Aggarwal, Varinder K.; Journal of Organic Chemistry 2003, V68(13), P5381-5383 CAPLUS
  4. (4) Willy, Benjamin; European Journal of Organic Chemistry 2008, (24), P4157-4168 CAPLUS
  5. (5) Longhi, Kelvis; Tetrahedron Letters 2010, V51(24), P3193-3196 CAPLUS
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