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2-Fluoro-6-methoxyphenol

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Name

2-Fluoro-6-methoxyphenol

EINECS N/A
CAS No. 73943-41-6 Density 1.224 g/cm3
PSA 29.46000 LogP 1.53990
Solubility N/A Melting Point N/A
Formula C7H7FO2 Boiling Point 224 °C at 760 mmHg
Molecular Weight 142.13 Flash Point 103.3 °C
Transport Information N/A Appearance Clear colorless to light brown liquid
Safety 26-37/39 Risk Codes 36/37/38
Molecular Structure Molecular Structure of 73943-41-6 (2-Fluoro-6-methoxyphenol) Hazard Symbols IrritantXi
Synonyms

2-Fluoro-6-methoxyphenol;2-Methoxy-6-fluorophenol;2-fluoro-6-methoxyphenol;phenol, 2-fluoro-6-methoxy-;

Article Data 3

2-Fluoro-6-methoxyphenol Specification

The 2-Fluoro-6-methoxyphenol, with the CAS registry number 73943-41-6, has the systematic name of 2-fluoro-6-methoxyphenol. It is a kind of clear colorless to light brown liquid, and belongs to the following product categories: Phenol&Thiophenol & Mercaptan; Organic Building Blocks; Oxygen Compounds; Phenols. And the molecular formula of the chemical is C7H7FO2.

The characteristics of 2-Fluoro-6-methoxyphenol are as followings: (1)ACD/LogP: 1.47; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.46; (4)ACD/LogD (pH 7.4): 1.44; (5)ACD/BCF (pH 5.5): 7.64; (6)ACD/BCF (pH 7.4): 7.29; (7)ACD/KOC (pH 5.5): 149.13; (8)ACD/KOC (pH 7.4): 142.28; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 18.46 Å2; (13)Index of Refraction: 1.511; (14)Molar Refractivity: 34.8 cm3; (15)Molar Volume: 116 cm3; (16)Polarizability: 13.79×10-24cm3; (17)Surface Tension: 36.8 dyne/cm; (18)Density: 1.224 g/cm3; (19)Flash Point: 103.3 °C; (20)Enthalpy of Vaporization: 47.92 kJ/mol; (21)Boiling Point: 224 °C at 760 mmHg; (22)Vapour Pressure: 0.0627 mmHg at 25°C. 

Uses of 2-Fluoro-6-methoxyphenol: It can react with 1,3,5,7-tetraaza-adamantane to produce 2-fluoroisovanillin. This reaction will need reagent trifluoroacetic acid. The reaction time is 1 hour with heating, and the yield is about 63%.

You should be cautious while dealing with this chemical. It irritates to eyes, respiratory system and skin. Therefore, you had better take the following instructions: Wear suitable gloves and eye/face protection, and if in case of contacting with eyes, rinse immediately with plenty of water and seek medical advice.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: Fc1cccc(OC)c1O
(2)InChI: InChI=1/C7H7FO2/c1-10-6-4-2-3-5(8)7(6)9/h2-4,9H,1H3
(3)InChIKey: YZNHPLVFLRSVHY-UHFFFAOYAY

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