Benzenemethanol, a-methyl-4-(trifluoromethyl)- supplier

Name
1-[4-(TRIFLUOROMETHYL)PHENYL]ETHANOL
EINECS -0
CAS No. 1737-26-4
Article Data332
CAS DataBase
Density 1.234 g/cm³
Solubility
Melting Point
Formula C₉H₉F₃O
Boiling Point 232.8 °C at 760 mmHg
Molecular Weight 190.165
Flash Point 98.3 °C
Transport Information
Appearance clear colorless to pale yellow liquid
Safety 24/25
Risk Codes 36/37/38
Molecular Structure
Hazard Symbols Xi; F
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;
PSA 20.23000
LogP 2.75870

Benzenemethanol, a-methyl-4-(trifluoromethyl)- 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%.

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

Product Name

1-[4-(TRIFLUOROMETHYL)PHENYL]ETHANOL

Benzenemethanol, a-methyl-4-(trifluoromethyl)- Specification

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