4-(5-(Trifluoromethyl)-1,2,4-oxadiazol-3-yl)benzoic acid

Modify Date: 2024-01-08 21:32:22

4-(5-(Trifluoromethyl)-1,2,4-oxadiazol-3-yl)benzoic acid Structure
4-(5-(Trifluoromethyl)-1,2,4-oxadiazol-3-yl)benzoic acid structure
Common Name 4-(5-(Trifluoromethyl)-1,2,4-oxadiazol-3-yl)benzoic acid
CAS Number 340736-76-7 Molecular Weight 258.154
Density 1.5±0.1 g/cm3 Boiling Point 345.6±52.0 °C at 760 mmHg
Molecular Formula C10H5F3N2O3 Melting Point 169-171ºC
MSDS N/A Flash Point 162.8±30.7 °C

 Names

Name 4-[5-(Trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzoic acid
Synonym More Synonyms

 Chemical & Physical Properties

Density 1.5±0.1 g/cm3
Boiling Point 345.6±52.0 °C at 760 mmHg
Melting Point 169-171ºC
Molecular Formula C10H5F3N2O3
Molecular Weight 258.154
Flash Point 162.8±30.7 °C
Exact Mass 258.025238
PSA 76.22000
LogP 3.91
Vapour Pressure 0.0±0.8 mmHg at 25°C
Index of Refraction 1.515

 Safety Information

HS Code 2934999090

 Synthetic Route

~75%

4-(5-(Trifluoromethyl)-1,2,4-oxadiazol-3-yl)benzoic acid Structure

4-(5-(Trifluoro...

CAS#:340736-76-7

Literature: NOVARTIS AG; HEBACH, Christina; JOLY, Emilie; KALLEN, Joerg; TERNOIS, James Gilbert; TINTELNOT-BLOMLEY, Marina Patent: WO2013/8162 A1, 2013 ; Location in patent: Page/Page column 63 ;

~%

4-(5-(Trifluoromethyl)-1,2,4-oxadiazol-3-yl)benzoic acid Structure

4-(5-(Trifluoro...

CAS#:340736-76-7

Literature: Chemical and Pharmaceutical Bulletin, , vol. 49, # 3 p. 268 - 277

~54%

4-(5-(Trifluoromethyl)-1,2,4-oxadiazol-3-yl)benzoic acid Structure

4-(5-(Trifluoro...

CAS#:340736-76-7

Literature: Liu, Kun; Lu, Hong; Hou, Ling; Qi, Zhi; Teixeira, Catia; Barbault, Florent; Fan, Bo-Tao; Liu, Shuwen; Jiang, Shibo; Xie, Lan Journal of Medicinal Chemistry, 2008 , vol. 51, # 24 p. 7843 - 7854

~%

4-(5-(Trifluoromethyl)-1,2,4-oxadiazol-3-yl)benzoic acid Structure

4-(5-(Trifluoro...

CAS#:340736-76-7

Literature: Chemical and Pharmaceutical Bulletin, , vol. 49, # 3 p. 268 - 277

~%

4-(5-(Trifluoromethyl)-1,2,4-oxadiazol-3-yl)benzoic acid Structure

4-(5-(Trifluoro...

CAS#:340736-76-7

Literature: Chemical and Pharmaceutical Bulletin, , vol. 49, # 3 p. 268 - 277

~%

4-(5-(Trifluoromethyl)-1,2,4-oxadiazol-3-yl)benzoic acid Structure

4-(5-(Trifluoro...

CAS#:340736-76-7

Literature: WO2013/8162 A1, ;

 Customs

HS Code 2934999090
Summary 2934999090. other heterocyclic compounds. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

 Synonyms

4-[5-(Trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzoic acid
3-(4-carboxyphenyl)-5-(trifluoromethyl)-1,2,4-oxadiazole
4-(5-(Trifluoromethyl)-1,2,4-oxadiazol-3-yl)benzoic acid
Benzoic acid, 4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-
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