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CAS No.: | 192702-79-7 |
---|---|
Name: | 3-FLUORO-4-METHYLBENZYL ALCOHOL |
Article Data: | 4 |
Molecular Structure: | |
Formula: | C8H9FO |
Molecular Weight: | 140.157 |
Synonyms: | (3-Fluoro-4-methylphenyl)methanol; |
Density: | 1.132g/cm3 |
Melting Point: | 33-36 °C |
Boiling Point: | 212.8 °C at 760 mmHg |
Flash Point: | 101.9 °C |
Hazard Symbols: | Xi |
Risk Codes: | 36/37/38 |
Safety: | 26-36 |
PSA: | 20.23000 |
LogP: | 1.62640 |
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The Benzenemethanol,3-fluoro-4-methyl-, with the CAS registry number 192702-79-7, is also known as 3-Fluoro-4-methylbenzyl alcohol. It belongs to the product categories of Halide; Benzene series. This chemical's molecular formula is C8H9FO and molecular weight is 140.15. What's more, its systematic name and its IUPAC name are the same which is called (3-Fluoro-4-methylphenyl)methanol. It should be preserved hermetically and put in a cool, dry place.
Physical properties about [1,1'-Biphenyl]-2,2',3,3'-tetrol: (1)ACD/LogP: 1.55; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.55; (4)ACD/LogD (pH 7.4): 1.55; (5)ACD/BCF (pH 5.5): 8.82; (6)ACD/BCF (pH 7.4): 8.82; (7)ACD/KOC (pH 5.5): 165.28; (8)ACD/KOC (pH 7.4): 165.28; (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: 1.518; (14)Molar Refractivity: 37.52 cm3; (15)Molar Volume: 123.7 cm3; (16)Surface Tension: 37.2 dyne/cm; (17)Density: 1.132 g/cm3; (18)Flash Point: 101.9 °C; (19)Enthalpy of Vaporization: 47.48 kJ/mol; (20)Boiling Point: 212.8 °C at 760 mmHg; (21)Vapour Pressure: 0.1 mmHg at 25 °C; (22)Melting point: 33-36 °C.
Preparation of [1,1'-Biphenyl]-2,2',3,3'-tetrol: this chemical is prepared by reaction of 3-Fluoro-4-methyl-benzoic acid with reagent Borane-tetrahydrofuran complex. The reaction occurs with solvent Tetrahydrofuran at ambient temperature for 3.5 hours. The yield is 94 %.
When you are dealing with this chemical, you should be very careful. This chemical is inflammation to the skin, eyes and respiratory system or other mucous membranes. Therefore, you should wear suitable protective clothing. And in case of contacting with eyes, you should rinse immediately with plenty of water and seek medical advice.
You can still convert the following datas into molecular structure:
(1) SMILES: Fc1cc(ccc1C)CO
(2) InChI: InChI=1/C8H9FO/c1-6-2-3-7(5-10)4-8(6)9/h2-4,10H,5H2,1H3
(3) InChIKey: UUVJAGTYIVYFOS-UHFFFAOYAU