1-tert-butyl-5-(trifluoromethyl)pyrazole-4-carboxylic acid

Modify Date: 2024-01-09 17:31:45

1-tert-butyl-5-(trifluoromethyl)pyrazole-4-carboxylic acid Structure
1-tert-butyl-5-(trifluoromethyl)pyrazole-4-carboxylic acid structure
Common Name 1-tert-butyl-5-(trifluoromethyl)pyrazole-4-carboxylic acid
CAS Number 142818-02-8 Molecular Weight 236.19100
Density 1.34g/cm3 Boiling Point 305ºC at 760 mmHg
Molecular Formula C9H11F3N2O2 Melting Point 115-117ºC
MSDS N/A Flash Point 138.3ºC

 Names

Name 1-tert-butyl-5-(trifluoromethyl)pyrazole-4-carboxylic acid
Synonym More Synonyms

 Chemical & Physical Properties

Density 1.34g/cm3
Boiling Point 305ºC at 760 mmHg
Melting Point 115-117ºC
Molecular Formula C9H11F3N2O2
Molecular Weight 236.19100
Flash Point 138.3ºC
Exact Mass 236.07700
PSA 55.12000
LogP 2.35510
Vapour Pressure 0.000369mmHg at 25°C
Index of Refraction 1.483

 Safety Information

Hazard Codes Xi
HS Code 2933199090

 Synthetic Route

~81%

1-tert-butyl-5-(trifluoromethyl)pyrazole-4-carboxylic acid Structure

1-tert-butyl-5-...

CAS#:142818-02-8

Literature: Anderson, Kevin William; Fotouhi, Nader; Gillespie, Paul; Goodnow, Robert Alan; Guertin, Kevin Richard; Haynes, Nancy-Ellen; Myers, Michael Paul; Pietranico-Cole, Sherrie Lynn; Qi, Lida; Rossman, Pamela Loreen; Scott, Nathan Robert; Thakkar, Kshitij Chhabilbhai; Tilley, Jefferson Wright; Zhang, Qiang Patent: US2007/225280 A1, 2007 ; Location in patent: Page/Page column 18; 34 ; US 20070225280 A1

~85%

1-tert-butyl-5-(trifluoromethyl)pyrazole-4-carboxylic acid Structure

1-tert-butyl-5-...

CAS#:142818-02-8

Literature: Okada, Etsuji; Masuda, Ryoichi; Hojo, Masaru Heterocycles, 1992 , vol. 34, # 4 p. 791 - 798

~%

1-tert-butyl-5-(trifluoromethyl)pyrazole-4-carboxylic acid Structure

1-tert-butyl-5-...

CAS#:142818-02-8

Literature: Heterocycles, , vol. 34, # 4 p. 791 - 798

~%

1-tert-butyl-5-(trifluoromethyl)pyrazole-4-carboxylic acid Structure

1-tert-butyl-5-...

CAS#:142818-02-8

Literature: Heterocycles, , vol. 34, # 4 p. 791 - 798

 Precursor & DownStream

Precursor  2

DownStream  0

 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

1-tert-butyl-5-trifluoromethyl-1H-pyrazole-4-carboxylic acid
1-(t-butyl)-5-trifluoromethylpyrazole-4-carboxylic acid