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| CAS No.: | 1737-26-4 |
|---|---|
| Name: | 1-[4-(TRIFLUOROMETHYL)PHENYL]ETHANOL |
| Article Data: | 332 |
| Molecular Structure: | |
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| Formula: | C9H9F3O |
| Molecular Weight: | 190.165 |
| Synonyms: | Benzylalcohol, a-methyl-p-(trifluoromethyl)-(7CI,8CI);(?à)-1-(p-Trifluoromethylphenyl)ethanol;1-(1-Hydroxyethyl)-4-trifluoromethylbenzene;1-(4-Trifluoromethylphenyl)ethanol;1-(p-Trifluoromethylphenyl)ethanol;4-Trifluoromethyl-a-methylbenzenemethanol;a-Methyl-4-trifluoromethylbenzenemethanol;a-Methyl-p-(trifluoromethyl)benzyl alcohol;1-(4-(Trifluoromethyl)phenyl)ethanol;1-[4-(Trifluoromethyl)phenyl]ethanol;Benzenemethanol, α-methyl-4-(trifluoromethyl)-;α-Methyl-p-trifluoromethylbenzyl alcohol; |
| EINECS: | -0 |
| Density: | 1.234 g/cm3 |
| Boiling Point: | 232.8 °C at 760 mmHg |
| Flash Point: | 98.3 °C |
| Appearance: | clear colorless to pale yellow liquid |
| Hazard Symbols: |
 Xi;  F
|
| Risk Codes: | 36/37/38 |
| Safety: | 24/25 |
| PSA: | 20.23000 |
| LogP: | 2.75870 |
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Specification
The Benzenemethanol, a-methyl-4-(trifluoromethyl)-, with the CAS registry number 1737-26-4, has the systematic name of 1-[4-(trifluoromethyl)phenyl]ethanol. It is a kind of clear colorless to pale yellow liquid, and belongs to the product categories of Aromatic alcohols and diols. And the molecular formula of the chemical is C9H9F3O.
The characteristics of Benzenemethanol, a-methyl-4-(trifluoromethyl)- are as followings: (1)ACD/LogP: 1.95; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.95; (4)ACD/LogD (pH 7.4): 1.95; (5)ACD/BCF (pH 5.5): 17.98; (6)ACD/BCF (pH 7.4): 17.98; (7)ACD/KOC (pH 5.5): 275.3; (8)ACD/KOC (pH 7.4): 275.3; (9)#H bond acceptors: 1; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 9.23 Å2; (13)Index of Refraction: 1.461; (14)Molar Refractivity: 42.31 cm3; (15)Molar Volume: 154 cm3; (16)Polarizability: 16.77×10-24cm3; (17)Surface Tension: 28.6 dyne/cm; (18)Density: 1.234 g/cm3; (19)Flash Point: 98.3 °C; (20)Enthalpy of Vaporization: 49.62 kJ/mol; (21)Boiling Point: 232.8 °C at 760 mmHg; (22)Vapour Pressure: 0.0322 mmHg at 25°C.
Preparation of Benzenemethanol, a-methyl-4-(trifluoromethyl)-: This chemical can be prepared by acetaldehyde and p-trifluoromethylphenylmagnesium bromide. The reaction will need menstruum diethyl ether. The reaction time is 15 minutes with heating, and the yield is about 71%.
Uses of Benzenemethanol, a-methyl-4-(trifluoromethyl)-: It can react with phthalic acid anhydride to produce (+/-)-1-[p-(trifluoromethyl)phenyl]ethyl acid phthalate. This reaction will need reagent pyridine, and the yield is about 92%.
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You should be cautious while dealing with this chemical. It irritates to eyes, respiratory system and skin. Therefore, you had better avoid contact with skin and eyes.
Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: FC(F)(F)c1ccc(cc1)C(O)C
(2)InChI: InChI=1/C9H9F3O/c1-6(13)7-2-4-8(5-3-7)9(10,11)12/h2-6,13H,1H3
(3)InChIKey: YMXIDIAEXNLCFT-UHFFFAOYAW