| Identification | More | [Name]
4-(Trifluoromethoxy)benzoic acid | [CAS]
330-12-1 | [Synonyms]
4-(TRIFLUOROMETHOXY)BENZOIC ACID
AKOS BBS-00006470
ALPHA,ALPHA,ALPHA-TRIFLUORO-P-ANISIC ACID
P-CARBOXYPHENYL TRIFLUOROMETHYL ETHER
P-TRIFLUOROMETHOXYBENZOIC ACID
P-TRIFLUOROMETHYL CARBOXYPHENYL ETHER
RARECHEM AL BO 0419
TIMTEC-BB SBB000455
Benzoic acid, 4-(trifluoromethoxy)-
4-(Trifluoromethoxy)benzoic acid 97%
4-(Trifluoromethoxy)benzoicacid97%
4-(Trifluoromethoxy)benzoic acid, 98+%
a,a,a-trifluoro-p-anisic acid | [EINECS(EC#)]
206-352-3 | [Molecular Formula]
C8H5F3O3 | [MDL Number]
MFCD00002541 | [Molecular Weight]
206.12 | [MOL File]
330-12-1.mol |
| Chemical Properties | Back Directory | [Appearance]
white to light yellow crystal powder | [Melting point ]
150-154 °C(lit.) | [Boiling point ]
203°C (rough estimate) | [density ]
1.4251 (estimate) | [storage temp. ]
Sealed in dry,Room Temperature | [solubility ]
Chloroform, Methanol | [form ]
Powder | [pka]
3.85±0.10(Predicted) | [color ]
White to cream | [BRN ]
977356 | [InChI]
InChI=1S/C8H5F3O3/c9-8(10,11)14-6-3-1-5(2-4-6)7(12)13/h1-4H,(H,12,13) | [InChIKey]
RATSANVPHHXDCT-UHFFFAOYSA-N | [SMILES]
C(O)(=O)C1=CC=C(OC(F)(F)F)C=C1 | [CAS DataBase Reference]
330-12-1(CAS DataBase Reference) | [NIST Chemistry Reference]
4-(Trifluoromethoxy)benzoic acid(330-12-1) |
| Safety Data | Back Directory | [Hazard Codes ]
Xi | [Risk Statements ]
R36/37/38:Irritating to eyes, respiratory system and skin . | [Safety Statements ]
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S36:Wear suitable protective clothing .
S37/39:Wear suitable gloves and eye/face protection . | [WGK Germany ]
3
| [Hazard Note ]
Irritant | [HazardClass ]
IRRITANT | [HS Code ]
29189900 |
| Hazard Information | Back Directory | [Chemical Properties]
white to light yellow crystal powder | [Uses]
4-(Trifluoromethoxy)benzoic Acid is a substituted benzoic acid used in the preparation of a various biologically active compounds such as antifungal and antimalarial agents. | [General Description]
Kinetics of internal acyl migration and hydrolysis of the synthetic β-1-O-acyl-D-glucopyranuronates of 2-, 3-, and 4-(trifluoromethyl)benzoic acids in phosphate buffer was studied. | [Synthesis]
Synthesis of 4-(trifluoromethoxy)benzoic acid: 4-(trifluoromethoxy)benzonitrile (4 g, 21.4 mmol) was dissolved in acetic acid (12 mL), and water (12 mL) and concentrated sulfuric acid (12 mL) were added sequentially. The reaction mixture was stirred and reacted at 120 °C overnight. Upon completion of the reaction, water (100 mL) was added to the mixture and the aqueous phase was extracted with ethyl acetate (3 x 100 mL). The organic phases were combined, dried with anhydrous sodium sulfate and concentrated under reduced pressure to give the title compound 4-(trifluoromethoxy)benzoic acid (4.8 g, 98% yield) as a white solid. | [References]
[1] Patent: US2007/270434, 2007, A1. Location in patent: Page/Page column 16-17 |
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