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3,4-Difluorobenzyl alcohol

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Name

3,4-Difluorobenzyl alcohol

EINECS 285-657-3
CAS No. 85118-05-4 Density 1.291 g/cm3
PSA 20.23000 LogP 1.45710
Solubility N/A Melting Point 9oC
Formula C7H6F2O Boiling Point 200.899 °C at 760 mmHg
Molecular Weight 144.121 Flash Point 97.778 °C
Transport Information N/A Appearance Clear colorless to very light yellow liquid
Safety 26-36-37/39 Risk Codes 36/37/38
Molecular Structure Molecular Structure of 85118-05-4 (3,4-Difluorobenzyl alcohol) Hazard Symbols IrritantXi
Synonyms

(3,4-Difluorophenyl)methanol;Benzenemethanol,3,4-difluoro-;

Article Data 7

3,4-Difluorobenzyl alcohol Specification

The 3,4-Difluorobenzyl alcohol, with the CAS registry number 85118-05-4, is also known as Benzenemethanol,3,4-difluoro-. It belongs to the product categories of Benzhydrols, Benzyl & Special Alcohols; Alcohol; Miscellaneous; Alcohols; C7 to C8; Oxygen Compounds. Its EINECS number is 285-657-3. This chemical's molecular formula is C7H6F2O and molecular weight is 144.12. What's more, its systematic name is (3,4-Difluorophenyl)methanol. This chemical should be sealed and stored in a cool and dry place. Moreover, it should be protected from oxides. It is used as pharmaceutical intermediates.

Physical properties of 3,4-Difluorobenzyl alcohol are: (1)ACD/LogP: 1.268; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.27; (4)ACD/LogD (pH 7.4): 1.27; (5)ACD/BCF (pH 5.5): 5.42; (6)ACD/BCF (pH 7.4): 5.42; (7)ACD/KOC (pH 5.5): 116.68; (8)ACD/KOC (pH 7.4): 116.68; (9)#H bond acceptors: 1; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 20.23 Å2; (13)Index of Refraction: 1.497; (14)Molar Refractivity: 32.692 cm3; (15)Molar Volume: 111.669 cm3; (16)Polarizability: 12.96×10-24cm3; (17)Surface Tension: 36.81 dyne/cm; (18)Density: 1.291 g/cm3; (19)Flash Point: 97.778 °C; (20)Enthalpy of Vaporization: 46.212 kJ/mol; (21)Boiling Point: 200.899 °C at 760 mmHg; (22)Vapour Pressure: 0.19 mmHg at 25°C.

Uses of 3,4-Difluorobenzyl alcohol: it can be used to produce 2,2,2-trichloro-acetimidic acid 3,4-difluoro-benzyl ester at the temperature of 0 - 20 °C. It will need reagents tetrabutylammonium hydrogen sulfate, 50 percent aq. KOH and solvent CH2Cl2 with the reaction time of 2.5 hours. The yield is about 98%.

3,4-Difluorobenzyl alcohol can be used to produce 2,2,2-trichloro-acetimidic acid 3,4-difluoro-benzyl ester at the temperature of 0 - 20 °C

When you are using this chemical, please be cautious about it as the following:
This chemical is irritating to eyes, respiratory system and skin. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. When using it, you need to wear suitable protective clothing, gloves and eye/face protection.

You can still convert the following datas into molecular structure:
(1)SMILES: Fc1ccc(cc1F)CO
(2)Std. InChI: InChI=1S/C7H6F2O/c8-6-2-1-5(4-10)3-7(6)9/h1-3,10H,4H2
(3)Std. InChIKey: GNQLTCVBSGVGHC-UHFFFAOYSA-N 

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