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Basic Information
CAS No.: 322-79-2
Name: 2-Acetoxy-4-trifluoromethylbenzoic acid
Molecular Structure:
Molecular Structure of 322-79-2 (2-Acetoxy-4-trifluoromethylbenzoic acid)
Formula: C10H7F3O4
Molecular Weight: 248.158
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
Melting Point: 120-122° (upon slow heating); 110-112° (upon quick heating)
Boiling Point: 316 °C at 760 mmHg
Flash Point: 144.9 °C
Hazard Symbols: Xn
Risk Codes: 22-36/37/38-43
Safety: 26-36/37
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  • Benzoic acid,2-(acetyloxy)-4-(trifluoromethyl)-

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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 .