Basic information
- Name:
Benzoic acid,2-(acetyloxy)-4-(trifluoromethyl)-
- Superlist Name:
- Triflusal
- CAS No.:
322-79-2
- Molecular Structure:
- Formula:
- C10H7F3O4
- Molecular Weight:
- 248.16
- Synonyms:
- 2,4-Cresoticacid, a,a,a-trifluoro-, acetate (7CI,8CI);2-Acetoxy-4-(trifluoromethyl)benzoic acid;2-Carboxy-5-(trifluoromethyl)phenyl acetate;Disgren;UR 1501;
- EINECS:
- 206-297-5
- Density:
- 1.433 g/cm3
- Boiling Point:
- 316 °C at 760 mmHg
- Flash Point:
- 144.9 °C
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Chemistry
Molecular Formula of Triflusal (CAS NO.322-79-2): C10H7F3O4
Molecular Weight: 248.16g/mol
Einecs: 206-297-5
Boiling point: 316 °C at 760 mmHg
Flash Point: 144.9 °C
Density: 1.433 g/cm3
Enthalpy of Vaporization: 58.84 kJ/mol
Vapour Pressure: 0.000178 mmHg at 25 °C
Structure of Triflusal (CAS NO.322-79-2):
IUPAC Name: 2-Acetyloxy-4-(trifluoromethyl)benzoic acid
Canonical SMILES: CC(=O)OC1=C(C=CC(=C1)C(F)(F)F)C(=O)O
InChI: InChI=1S/C10H7F3O4/c1-5(14)17-8-4-6(10(11,12)13)2-3-7(8)9(15)16/h2-4H,1H3,(H,15,16)
InChIKey: RMWVZGDJPAKBDE-UHFFFAOYSA-N
Product Categories of Triflusal (CAS NO.322-79-2): APIs
Toxicity Data With Reference
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| mouse | LD50 | intraperitoneal | 380mg/kg (380mg/kg) | Drugs of the Future. Vol. 3, Pg. 225, 1978. | |
| mouse | LD50 | oral | 437mg/kg (437mg/kg) | Drugs of the Future. Vol. 3, Pg. 225, 1978. | |
| rat | LD50 | intraperitoneal | 217mg/kg (217mg/kg) | Drugs of the Future. Vol. 3, Pg. 225, 1978. | |
| rat | LD50 | intravenous | 228mg/kg (228mg/kg) | Drugs of the Future. Vol. 3, Pg. 225, 1978. | |
| rat | LD50 | oral | 402mg/kg (402mg/kg) | Drugs of the Future. Vol. 3, Pg. 225, 1978. |
Specification
Triflusal , its cas register number is 322-79-2. It also can be called 2-Acetoxy-4-trifluoromethylbenzoic acid ; 4-Trifluoromethylsalicylic acid acetate ; Aflen ; Disgren ; Grendis ; Triflusalum ; Benzoic acid, 2-(acetyloxy)-4-(trifluoromethyl)- (9CI) ; and alpha,alpha,alpha-Trifluoro-2,4-cresotic acid acetate .