3-(heptafluoro-1-propyl)-5-phenylpyrazole

Modify Date: 2025-08-26 10:25:37

3-(heptafluoro-1-propyl)-5-phenylpyrazole Structure
3-(heptafluoro-1-propyl)-5-phenylpyrazole structure
Common Name 3-(heptafluoro-1-propyl)-5-phenylpyrazole
CAS Number 54864-78-7 Molecular Weight 312.18600
Density 1.454g/cm3 Boiling Point 323.2ºC at 760 mmHg
Molecular Formula C12H7F7N2 Melting Point 85 °C
MSDS N/A Flash Point 149.3ºC

 Names

Name 5-(1,1,2,2,3,3,3-heptafluoropropyl)-3-phenyl-1H-pyrazole
Synonym More Synonyms

 Chemical & Physical Properties

Density 1.454g/cm3
Boiling Point 323.2ºC at 760 mmHg
Melting Point 85 °C
Molecular Formula C12H7F7N2
Molecular Weight 312.18600
Flash Point 149.3ºC
Exact Mass 312.05000
PSA 28.68000
LogP 4.36610
Index of Refraction 1.454
InChIKey JZKFJUIBEKMWRF-UHFFFAOYSA-N
SMILES FC(F)(F)C(F)(F)C(F)(F)c1cc(-c2ccccc2)n[nH]1

 Safety Information

Hazard Codes Xi
Risk Phrases 36/37/38
Safety Phrases S26-S36
HS Code 2933199090

 Synthetic Route

~88%

3-(heptafluoro-1-propyl)-5-phenylpyrazole Structure

3-(heptafluoro-...

CAS#:54864-78-7

Literature: Peglion, Jean-Louis; Pastor, Raphael-Emile; Cambon, Aime-Roger Bulletin de la Societe Chimique de France, 1980 , vol. 2, # 5-6 p. 309 - 315

~96%

3-(heptafluoro-1-propyl)-5-phenylpyrazole Structure

3-(heptafluoro-...

CAS#:54864-78-7

Literature: Tang, Xiao-Qing; Hu, Chang-Ming Journal of Fluorine Chemistry, 1995 , vol. 73, # 2 p. 129 - 132

~42%

3-(heptafluoro-1-propyl)-5-phenylpyrazole Structure

3-(heptafluoro-...

CAS#:54864-78-7

Literature: Ohkoshi, Masanori; Yoshida, Masato; Matsuyama, Haruo; Iyoda, Masahiko Tetrahedron Letters, 2001 , vol. 42, # 1 p. 33 - 36

~%

3-(heptafluoro-1-propyl)-5-phenylpyrazole Structure

3-(heptafluoro-...

CAS#:54864-78-7

Literature: Peglion, Jean-Louis; Pastor, Raphael-Emile; Cambon, Aime-Roger Bulletin de la Societe Chimique de France, 1980 , vol. 2, # 5-6 p. 309 - 315

 Customs

HS Code 2933199090
Summary 2933199090. other compounds containing an unfused pyrazole ring (whether or not hydrogenated) in the structure. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

 Synonyms

3-perfluoropropyl-5-phenyl-1H-pyrazole
MFCD00155844
3-Heptafluoropropyl-5-phenylpyrazole
PC9426
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