3-Nitro-5-(trifluoromethyl)benzoic acid

Modify Date: 2025-08-20 09:06:18

3-Nitro-5-(trifluoromethyl)benzoic acid Structure
3-Nitro-5-(trifluoromethyl)benzoic acid structure
Common Name 3-Nitro-5-(trifluoromethyl)benzoic acid
CAS Number 328-80-3 Molecular Weight 235.117
Density 1.6±0.1 g/cm3 Boiling Point 309.9±42.0 °C at 760 mmHg
Molecular Formula C8H4F3NO4 Melting Point 128 °C
MSDS N/A Flash Point 141.2±27.9 °C

 Names

Name 3-nitro-5-(trifluoromethyl)benzoic acid
Synonym More Synonyms

 Chemical & Physical Properties

Density 1.6±0.1 g/cm3
Boiling Point 309.9±42.0 °C at 760 mmHg
Melting Point 128 °C
Molecular Formula C8H4F3NO4
Molecular Weight 235.117
Flash Point 141.2±27.9 °C
Exact Mass 235.009247
PSA 83.12000
LogP 2.98
Vapour Pressure 0.0±0.7 mmHg at 25°C
Index of Refraction 1.519
InChIKey ODCLHXGXGFBBTA-UHFFFAOYSA-N
SMILES O=C(O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1

 Safety Information

Hazard Codes Xi: Irritant;
Risk Phrases R36/37/38
Safety Phrases S26-S36/37/39

 Synthetic Route

~92%

3-Nitro-5-(trifluoromethyl)benzoic acid Structure

3-Nitro-5-(trif...

CAS#:328-80-3

Literature: Shirai, Junya; Morimoto, Shinji; Sugiyama, Hideyuki; Sakauchi, Nobuki; Yoshikawa, Takeshi Patent: US2008/275085 A1, 2008 ; Location in patent: Page/Page column 45 ; US 20080275085 A1

 Synonyms

3-Carboxy-5-nitrobenzotrifluoride
MFCD00024509
3-Nitro-5-trifluormethyl-benzoesaeure
5-nitro-3-trifluoromethylbenzoic acid
3-Trifluoromethyl-5-nitrobenzoic Acid
3-trifluoro-5-nitrobenzoic acid
Benzoic acid, 3-nitro-5-(trifluoromethyl)-
3-Nitro-5-(trifluoromethyl)benzoic acid
3-Nitro-5-trifluoromethylbenzoic acid
3-Nitro-5-(trifluoromethyl)benzoicacid
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