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CAS Number: 10010-93-2
3-methyl-5-(trifluoromethyl)-1H-pyrazole

Structure

3-methyl-5-(trifluoromethyl)-1H-pyrazole
Name: 3-methyl-5-(trifluoromethyl)-1H-pyrazole
Synonyms:
General Information
Product Number: 10010932

CAS Registry Number: 10010-93-2

Name:

1H-​Pyrazole, 3-​methyl-​5-​(trifluoromethyl)​-
Pyrazole, 3(or 5)​-​methyl-​5(or 3)​-​(trifluoromethyl)​- (7CI); Pyrazole, 3-​methyl-​5-​(trifluoromethyl)​- (8CI); 3-​Methyl-​5-​(trifluoromethyl)​-​1H-​pyrazole; 3-​Methyl-​5-​(trifluoromethyl)​pyrazole; 5-​Methyl-​3-​(trifluoromethyl)​-​1H-​pyrazole; Methyl-​5-​trifluoromethylpyraz​ole 

Alternate CAS Registry Numbers: 1245286-55-8
Deleted CAS Registry Numbers: 63779-​50-​0, 69918-​49-​6, 129768-​27-​0, 133887-​72-​6, 142071-​92-​9, 618436-​13-​8, 682345-​50-​2, 936918-​86-​4, 942060-​04-​0, 1148057-​34-​4, 1192050-​82-​0

 

Chemical Formula: C5H5F3N2
Exact Mass: 150.04
Molecular Weight: 150.10
m/z: 150.04 (100.0%), 151.04 (6.1%)

 

InChI: InChI=1S/C5H5F3N2/c1-3-2-4(10-9-3)5(6,7)8/h2H,1H3,(H,9,10)
InChIKey: DLCHCAYDSKIFIN-UHFFFAOYSA-N
Canonical SMILES : CC1=CC(=NN1)C(F)(F)F

 

Thermal Properties Value Condition Note
Melting Point 89-90 °C   (9)CAS
Melting Point 89-90 °C   (4)CAS
Melting Point 88-90 °C   (3)CAS
Melting Point 86-87 °C Solv: toluene (108-88-3) (6)CAS
Melting Point 85-86 °C   (7)IC
Melting Point 85-86 °C Solv: hexane (110-54-3) (10)IC
Melting Point 84-85 °C   (5)CAS

Specification

98%

References
  1. (1) WSS: Spectral data were obtained from Wiley Subscription Services, Inc. (US)
  2. (2) Braibante, Mara E. F.; Journal of Heterocyclic Chemistry 1993, V30(4), P1159-60 CAPLUS
  3. (3) Martins, Marcos A. P.; Journal of the Brazilian Chemical Society 2008, V19(7), P1361-1368 CAPLUS
  4. (4) Martins, Marcos A. P.; Journal of Heterocyclic Chemistry 2010, V47(2), P301-308 CAPLUS
  5. (5) Buriol, Lilian; Journal of the Brazilian Chemical Society 2010, V21(6), P1037-1044 CAPLUS
  6. (6) Hu, Zhengbo; Inorganica Chimica Acta 2009, V362(12), P4639-4645 CAPLUS
  7. (7) Fields, Roy; Journal of Fluorine Chemistry 1979, V13(2), P147-58 CAPLUS
  8. (8) Dias, H. V. Rasika; Inorganic Chemistry 2007, V46(8), P2979-2987 CAPLUS
  9. (9) Zelenin, K. N.; Chemistry of Heterocyclic Compounds (New York, NY, United States)(Translation of Khimiya Geterotsiklicheskikh Soedinenii) 2002, V38(6), P668-676 CAPLUS
  10. (10) Kondrat'ev, P. N.; Izvestiya Akademii Nauk SSSR, Seriya Khimicheskaya 1990, (3), P640-5 CAPLUS
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