| Identification | More | [Name]
2-(Trifluoromethyl)benzyl alcohol | [CAS]
346-06-5 | [Synonyms]
2-TRIFLUOROMETHYL BENZENE METHANOL
2-(TRIFLUOROMETHYL)BENZYL ALCOHOL
[2-(TRIFLUOROMETHYL)PHENYL]METHANOL
OTF-BYL
O-(TRIFLUOROMETHYL)BENZYL ALCOHOL
RARECHEM AL BD 0046
Benzenemethanol, 2-(trifluoromethyl)-
2-(trifluoromethyl)benzylic alcohol
2-(Trifluoromethyl)benzyl alcohol 97%
2-TRIFLUOROBENZYL ALCOHOL
2-(Trifluoromethyl)benzylalcohol97%
o-Trifluoromethylbenzyl alchol | [EINECS(EC#)]
206-467-9 | [Molecular Formula]
C8H7F3O | [MDL Number]
MFCD00004621 | [Molecular Weight]
176.14 | [MOL File]
346-06-5.mol |
| Chemical Properties | Back Directory | [Appearance]
Colorless to light yellow liqui | [Melting point ]
4°C | [Boiling point ]
90 °C20 mm Hg(lit.)
| [density ]
1.326 g/mL at 25 °C(lit.)
| [refractive index ]
n20/D 1.468(lit.)
| [Fp ]
198 °F
| [storage temp. ]
Sealed in dry,Room Temperature | [form ]
clear liquid | [pka]
14.01±0.10(Predicted) | [color ]
Colorless to Almost colorless | [BRN ]
2093714 | [InChI]
1S/C8H7F3O/c9-8(10,11)7-4-2-1-3-6(7)5-12/h1-4,12H,5H2 | [InChIKey]
TWQNSHZTQSLJEE-UHFFFAOYSA-N | [SMILES]
OCc1ccccc1C(F)(F)F | [CAS DataBase Reference]
346-06-5(CAS DataBase Reference) | [NIST Chemistry Reference]
2-(Trifluoromethyl)benzyl alcohol(346-06-5) |
| 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 .
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection .
S37/39:Wear suitable gloves and eye/face protection . | [WGK Germany ]
3
| [Hazard Note ]
Irritant | [HazardClass ]
IRRITANT | [HS Code ]
29062990 | [Storage Class]
10 - Combustible liquids | [Hazard Classifications]
Eye Irrit. 2
Skin Irrit. 2
STOT SE 3 |
| Hazard Information | Back Directory | [Chemical Properties]
Colorless to light yellow liqui | [Uses]
2-(Trifluoromethyl)benzyl alcohol has been used to investigate the aromatic aldehydes as substrate for yeast alcohol dehydrogenase. | [Definition]
ChEBI: [2-(Trifluoromethyl)phenyl]methanol is a member of (trifluoromethyl)benzenes. | [Synthesis]
(1) Water (348.0 g) was added to a 1000 mL three-necked round-bottomed flask equipped with a mechanical stirrer and a thermometer and cooled to 0°C. Subsequently, sodium borohydride (9.5 g, 0.25 mol) was added and stirred for 20 min. Maintaining the temperature at 5 °C, o-trifluoromethylbenzaldehyde (87.1 g, 0.5 mol) was slowly added dropwise. After the dropwise addition, the reaction temperature was maintained at 10 °C for 1 hour. After completion of the reaction, extraction was carried out by adding methyl tert-butyl ether. The organic phases were combined, washed with saturated brine and concentrated under reduced pressure to no fraction to obtain 2-trifluoromethylbenzenemethanol as a colorless transparent liquid with a purity of >99% and a yield of 90%. | [References]
[1] Patent: CN106588673, 2017, A. Location in patent: Paragraph 0047; 0048
[2] Patent: CN106699729, 2017, A. Location in patent: Paragraph 0066; 0067
[3] Green Chemistry, 2015, vol. 17, # 9, p. 4537 - 4540
[4] Journal of Organic Chemistry, 2017, vol. 82, # 13, p. 6972 - 6977 |
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