4-Methoxy-2-(trifluoromethyl)benzoic acid supplier

Name
4-Methoxy-2-(trifluoromethyl)benzoic acid
EINECS
CAS No. 127817-85-0
Article Data2
CAS DataBase
Density 1.38 g/cm³
Solubility Insoluble in water
Melting Point 147-150 °C
Formula C₉H₇F₃O₃
Boiling Point 274.816 °C at 760 mmHg
Molecular Weight 220.148
Flash Point 120.004 °C
Transport Information
Appearance White powder
Safety
Risk Codes Xi:Irritant;
Molecular Structure
Hazard Symbols Xi
Synonyms Benzoic acid,4-methoxy-2-(trifluoromethyl)-;α,α,α-Trifluoro-4-methoxy-o-toluic acid;2-(Trifluoromethyl)-p-anisic acid;2-Trifluoromethyl-4-methoxybenzoic acid;
PSA 46.53000
LogP 2.41220

4-Methoxy-2-(trifluoromethyl)benzoic acid Specification

4-Methoxy-2-(trifluoromethyl)benzoic acid is an organic compound with the formula C₉H₇F₃O₃, and its systematic name is the same with the product name. With the CAS registry number 127817-85-0, it is also named as Benzoic acid,4-methoxy-2-(trifluoromethyl)-. It belongs to the product categories of Aromatic Carboxylic Acids, Amides, Anilides, Anhydrides & Salts; Benzoic acid. In addition, the molecular weight is 220.15. This chemical should be sealed and stored in a cool and dry place. It should be protected from oxides and alkali. Moreover, it should be ensured that the workshop is well ventilated or equipped with exhaust devices.

Physical properties of 4-Methoxy-2-(trifluoromethyl)benzoic acid are: (1)ACD/LogP: 2.124; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.15; (4)ACD/LogD (pH 7.4): -0.95; (5)ACD/BCF (pH 5.5): 1.00; (6)ACD/BCF (pH 7.4): 1.00; (7)ACD/KOC (pH 5.5): 3.64; (8)ACD/KOC (pH 7.4): 1.00; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 46.53 Å²; (13)Index of Refraction: 1.474; (14)Molar Refractivity: 44.841 cm³; (15)Molar Volume: 159.476 cm³; (16)Polarizability: 17.776×10^-24cm³; (17)Surface Tension: 33.36 dyne/cm; (18)Density: 1.38 g/cm³; (19)Flash Point: 120.004 °C; (20)Enthalpy of Vaporization: 54.214 kJ/mol; (21)Boiling Point: 274.816 °C at 760 mmHg; (22)Vapour Pressure: 0.003 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: FC(F)(F)c1cc(OC)ccc1C(=O)O
(2)Std. InChI: InChI=1S/C9H7F3O3/c1-15-5-2-3-6(8(13)14)7(4-5)9(10,11)12/h2-4H,1H3,(H,13,14)
(3)Std. InChIKey:MLCRFQSWSHKLDP-UHFFFAOYSA-N

Product Name

4-Methoxy-2-(trifluoromethyl)benzoic acid

4-Methoxy-2-(trifluoromethyl)benzoic acid Specification

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