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Basic Information
CAS No.: 328-90-5
Name: 4-Trifluoromethylsalicylic acid
Article Data: 10
Molecular Structure:
Molecular Structure of 328-90-5 (4-Trifluoromethylsalicylic acid)
Formula: C8H5F3O3
Molecular Weight: 206.121
Synonyms: 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)-;
EINECS: 1312995-182-4
Density: 1.539 g/cm3
Melting Point: 178 °C
Boiling Point: 286.4 °C at 760 mmHg
Flash Point: 127 °C
Hazard Symbols: IrritantXi
Risk Codes: 36/37/38
Safety: 26-36/37/39
PSA: 57.53000
LogP: 2.10920
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    Product name: 4-Trifluoromethyl Salicylic Acid CAS No.：328-90-5 Molecule Formula：C8H5F3O3 Molecule Weight：206.11 Purity: 99% Package: 25kg/drum Description：White powder Manufacture Standards：Enterprise Standard TESTING ITEMS

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    4-Trifluoromethylsalicylic acid Chemical Properties Melting point 178 °C Boiling point 286.4±40.0 °C(Predicted) density 1.539±0.06 g/cm3(Predicted) form neat pka 2.45±0.10(Predicted) InChIKey XMLF

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Chemistry

Molecule structure of 4-Trifluoromethylsalicylic acid (CAS NO.328-90-5):

IUPAC Name: 2-Hydroxy-4-(trifluoromethyl)benzoic acid 
Molecular Weight: 206.11871 g/mol
Molecular Formula: C8H5F3O3 
Density: 1.539 g/cm3 
Melting Point: 178 °C
Boiling Point: 286.4 °C at 760 mmHg 
Flash Point: 127 °C
Index of Refraction: 1.509
Molar Refractivity: 40.04 cm3
Molar Volume: 133.9 cm3
Surface Tension: 42.3 dyne/cm 
Enthalpy of Vaporization: 55.5 kJ/mol
Vapour Pressure: 0.00124 mmHg at 25 °C
XLogP3: 3.5
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
Canonical SMILES: C1=CC(=C(C=C1C(F)(F)F)O)C(=O)O
InChI: InChI=1S/C8H5F3O3/c9-8(10,11)4-1-2-5(7(13)14)6(12)3-4/h1-3,12H,(H,13,14)
InChIKey: XMLFPUBZFSJWCN-UHFFFAOYSA-N
Product Categories of 4-Trifluoromethylsalicylic acid (CAS NO.328-90-5): Aromatic Carboxylic Acids, Amides, Anilides, Anhydrides & Salts

Uses

 4-Trifluoromethylsalicylic acid (CAS NO.328-90-5) is an important intermediates of medicine and pesticide.

Safety Profile

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

Specification

 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 .