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Chemical Product CAS:328-90-54-Trifluoromethylsalicylic acid

4-Trifluoromethylsalicylic acid

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    4-Trifluoromethylsalicylic acid
  • Molecular Formula:

  • Molecular Weight:

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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)
2-Hydroxy-4-(trifluoromethyl)benzoic acid
4-(Trifluoromethyl)salicylic acid
4-Trifluoromethyl-2-hydroxybenzoic acid
4-Trifluoromethyl salicylic acid
Benzoic acid,2-hydroxy-4-(trifluoromethyl)-
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]
Molecular Formula:C8H5F3O3
H-Bond Donor:2
H-Bond Acceptor:6
Rotatable Bond Count:1
Tautomer Count:4
Exact Mass:206.019079
MonoIsotopic Mass:206.019079
Topological Polar Surface Area:57.5
Heavy Atom Count:14
Formal Charge:0
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:?IrritantXi
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
HazardClass: 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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