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4-Trifluoromethylsalicylic acid ( CASNO:328-90-5 )
Identification and Related Records
- 4-Trifluoromethylsalicylic acid
- CAS Registry number:
- Iupac name:
- 2-hydroxy-4-(trifluoromethyl)benzoic acid
- 2,4-Cresoticacid, a,a,a-trifluoro- (6CI,7CI,8CI)
4-Trifluoromethyl salicylic acid
- Molecular Formula:
- Molecular Weight:
- Canonical SMILES:
Chemical and Physical Properties
- 1.539 g/cm3
- Melting Point:
- 178 °C
- Boiling Point:
- 286.4 oCat 760 mmHg
- Refractive Index:
- Flash Point:
- 127 oC
- Computed Properties:
- Molecular Weight:206.11871 [g/mol]
Rotatable Bond Count:1
Topological Polar Surface Area:57.5
Heavy Atom Count:14
Isotope Atom Count:0
Defined Atom Stereocenter Count:0
Undefined Atom Stereocenter Count:0
Defined Bond Stereocenter Count:0
Undefined Bond Stereocenter Count:0
Covalently-Bonded Unit Count:1
Feature 3D Acceptor Count:2
Feature 3D Donor Count:1
Feature 3D Anion Count:1
Feature 3D Ring Count:1
Effective Rotor Count:2
Conformer Sampling RMSD:0.6
CID Conformer Count:1
Safety and Handling
- Hazard Codes:
- Xi: Irritant;
- Risk Statements:
- Safety Statements:
- Hazard Note:
- Hazard Codes:?Xi
Risk Statements: 36/37/38?
R36/37/38:Irritating to eyes, respiratory system and skin.
Safety Statements: 26-36/37/39?
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.?
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection.
Hazard Note: Irritant
- ?4-Trifluoromethylsalicylic acid (CAS NO.328-90-5) is also named?as?2-Hydroxy-4-(trifluoromethyl)benzoic acid?; benzoic acid, 2-hydroxy-4-(trifluoromethyl)- ; 2-Hydroxy-4-trifluoromethylbenzoic acid ; 4-(Trifluoromethyl)salicylic Acid ; 4-Tfmsa ; 4-Trifluoromethyl salicylic acid .
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