CAS No.728-80-3,3-(TRIFLUOROMETHYL)BENZHYDROL Suppliers

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Basic Information

Molecular Structure:
CAS No.:	728-80-3
Name:	3-(TRIFLUOROMETHYL)BENZHYDROL
Article Data:	15

Formula:	C₁₄H₁₁F₃O
Molecular Weight:	252.236
Synonyms:	Benzhydrol,3-(trifluoromethyl)- (7CI,8CI);3-(Trifluoromethyl)benzhydrol;[3-(Trifluoromethyl)phenyl]phenylmethanol;
EINECS:	-0
Density:	1.257 g/cm³
Melting Point:	62-66 °C(lit.)
Boiling Point:	309.1 °C at 760 mmHg
Flash Point:	129.2 °C
Solubility:	insoluble in water
Appearance:	white solid
Hazard Symbols:	Xi
Risk Codes:	36/37/38
Safety:	26-36
PSA:	20.23000
LogP:	3.78710

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Specification

This chemical is called 3-(Trifluoromethyl)benzhydrol, and its IUPAC name is phenyl-[3-(trifluoromethyl)phenyl]methanol. With the molecular formula of C₁₄H₁₁F₃O, its molecular weight is 252.2317. The CAS registry number of this chemical is 728-80-3. Additionally, its product categories are Alcohols; C9 to C30; Oxygen Compounds. However, this chemical should be sealed in the cool and dry place. Keep it away from oxides and heating.

Other characteristics of the 3-(Trifluoromethyl)benzhydrol can be summarised as followings: (1)ACD/LogP: 3.31; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.31; (4)ACD/LogD (pH 7.4): 3.31; (5)ACD/BCF (pH 5.5): 194; (6)ACD/BCF (pH 7.4): 194; (7)ACD/KOC (pH 5.5): 1510.84; (8)ACD/KOC (pH 7.4): 1510.83; (9)#H bond acceptors: 1; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 9.23 Å²; (13)Index of Refraction: 1.531; (14)Molar Refractivity: 62.08 cm³; (15)Molar Volume: 200.6 cm³; (16)Polarizability: 24.61×10^-24cm³; (17)Surface Tension: 35.8 dyne/cm; (18)Density: 1.257 g/cm³; (19)Flash Point: 129.2 °C; (20)Enthalpy of Vaporization: 58.05 kJ/mol; (21)Boiling Point: 309.1 °C at 760 mmHg; (22)Vapour Pressure: 0.000283 mmHg at 25°C.

Production method of this chemical: The benzaldehyde could react with 1-chloro-3-trifluoromethyl-benzene to obtain the phenyl-(3-trifluoromethyl-phenyl)-methanol. This reaction needs the catalyst of NiBr₂bipy, and the solvent of dimethylformamide. The yield is 52 %.

The benzaldehyde could react with 1-chloro-3-trifluoromethyl-benzene to obtain the phenyl-(3-trifluoromethyl-phenyl)-methanol

Uses of this chemical: The 3-Trifluormethyl-diphenylmethan could be obtained by the 3-(Trifluoromethyl)benzhydrol. This reaction needs the reagents of aq. H₃PO₂, I₂, and the solvent of acetic acid. The yield is 100 %. In addition, this reaction should be taken for 72 hours at the temperature of 60 °C.

The 3-Trifluormethyl-diphenylmethan could be obtained by the 3-(Trifluoromethyl)benzhydrol

When you are using this chemical, please be cautious about it as the following: This chemical is irritating to eyes, respiratory system and skin. You should wear suitable protective clothing if you use it. In case of contacting with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
1.SMILES: FC(F)(F)c1cccc(c1)C(O)c2ccccc2
2.InChI: InChI=1/C14H11F3O/c15-14(16,17)12-8-4-7-11(9-12)13(18)10-5-2-1-3-6-10/h1-9,13,18H
3.InChIKey: KRMIEGLFYDWJOT-UHFFFAOYAT