| Identification | More | [Name]
m-(Trifluoromethyl)phenylacetic acid | [CAS]
351-35-9 | [Synonyms]
2-(3-(TRIFLUOROMETHYL)PHENYL)ACETIC ACID
3-(TRIFLUOROMETHYL)PHENYLACETIC ACID
(A,A,A-TRIFLUORO-M-TOLYL)ACETIC ACID
(ALPHA,ALPHA,ALPHA-TRIFLUORO-M-TOLYL)ACETIC ACID
M-(TRIFLUOROMETHYL)PHENYLACETIC ACID
RARECHEM AL BO 0127
TIMTEC-BB SBB000433
3-(trifluoromethyl)-benzeneaceticaci
(α,α,α-Trifluoro-m-tolyl)acetic acid
(alpha,alpha,alpha-trifluoro-3-tolyl)acetic acid
(à,à,à-trifluoro-m-tolyl)acetic acid
3-(Trifluoromethyl)phenylacetic acid 98%
3-(Trifluoromethyl)phenylaceticacid98%
3-(trifluoromethyl)-benzeneacetic acid
3-TRIFLUOROMETHYPHENYLACETIC ACID
(ALPHA,ALPHA,ALPHA-TRIFLUORO-M-TOLYL)ACETIC ACID 98%
3-(Trifluoromethyl)phenylacetic acid ,99% | [EINECS(EC#)]
206-511-7 | [Molecular Formula]
C9H7F3O2 | [MDL Number]
MFCD00004339 | [Molecular Weight]
204.15 | [MOL File]
351-35-9.mol |
| Chemical Properties | Back Directory | [Appearance]
white to pale yellow crystalline powder | [Melting point ]
76-79 °C(lit.)
| [Boiling point ]
238C/775Torr | [density ]
1.357±0.06 g/cm3(Predicted) | [storage temp. ]
Sealed in dry,Room Temperature | [form ]
powder to crystal | [pka]
4.14±0.10(Predicted) | [color ]
White to Almost white | [BRN ]
2213223 | [InChI]
InChI=1S/C9H7F3O2/c10-9(11,12)7-3-1-2-6(4-7)5-8(13)14/h1-4H,5H2,(H,13,14) | [InChIKey]
BLXXCCIBGGBDHI-UHFFFAOYSA-N | [SMILES]
C1(CC(O)=O)=CC=CC(C(F)(F)F)=C1 | [CAS DataBase Reference]
351-35-9(CAS DataBase Reference) | [EPA Substance Registry System]
351-35-9(EPA Substance) |
| 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 | [TSCA ]
T | [HazardClass ]
IRRITANT | [HS Code ]
29163990 |
| Hazard Information | Back Directory | [Chemical Properties]
white to pale yellow crystalline powder | [Uses]
3-(Trifluoromethyl)phenylacetic acid is used as a reactant in a mechanistic study on ligand-accelerated C-H activation reactions. | [Synthesis]
General procedure for the synthesis of [3-(trifluoromethyl)phenyl]acetic acid from [3-(trifluoromethyl)phenyl]acetonitrile: [3-(trifluoromethyl)phenyl]acetonitrile (5.4 g, 0.03 mol) was mixed with an aqueous solution of sodium hydroxide (6 g, 0.15 mol) and heated to reflux overnight. Upon completion of the reaction, it was cooled to room temperature and the pH of the reaction solution was adjusted with dilute hydrochloric acid to 2. Subsequently, the precipitate precipitated was collected by filtration, washed with water and dried to afford [3-(trifluoromethyl)phenyl]acetic acid as a white solid (5.2 g, 87% yield). The structure of the product was confirmed by 1H NMR (300 MHz, DMSO-d6): δ 7.6 (m, 4H, aromatic hydrogen), 3.7 (s, 2H, CH2). | [References]
[1] Patent: WO2008/104524, 2008, A1. Location in patent: Page/Page column 49
[2] Journal of medicinal chemistry, 1968, vol. 11, # 6, p. 1258 - 1262
[3] Arzneimittel Forschung, 1965, vol. 15, p. 1251 - 1253
[4] Journal of the American Chemical Society, 1977, vol. 99, # 9, p. 3059 - 3067
[5] Journal of the American Chemical Society, 1982, vol. 104, # 7, p. 1937 - 1951 |
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