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6-Fluoroveratraldehyde

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Name

6-Fluoroveratraldehyde

EINECS -0
CAS No. 71924-62-4 Density 1.201 g/cm3
PSA 35.53000 LogP 1.65540
Solubility N/A Melting Point 93-97 °C(lit.)
Formula C9H9FO3 Boiling Point 273.3 °C at 760 mmHg
Molecular Weight 184.167 Flash Point 115.5 °C
Transport Information N/A Appearance white to slightly yellow crystalline powder
Safety 26-36 Risk Codes 36/37/38
Molecular Structure Molecular Structure of 71924-62-4 (6-Fluoroveratraldehyde) Hazard Symbols IrritantXi
Synonyms

2-Fluoro-4,5-dimethoxybenzaldehyde;4,5-Dimethoxy-2-fluorobenzaldehyde;6-Fluoroveratraldehyde;

Article Data 3

6-Fluoroveratraldehyde Specification

This chemical is called 6-Fluoroveratraldehyde, and its systematic name is 2-fluoro-4,5-dimethoxybenzaldehyde. With the CAS registry number of 71924-62-4, its product categories are Catechol Derivatives; Aromatic Aldehydes & Derivatives (substituted); Benzaldehyde; Adehydes, Acetals & Ketones; Anisoles, Alkyloxy Compounds & Phenylacetates; Fluorine Compounds; C9; Carbonyl Compounds. Additionally, it should be stored sealed in the cool and dry plcace, away from oxide, alkali and air.

Other characteristics of the 6-Fluoroveratraldehyde can be summarised as followings: (1)ACD/LogP: 1.88; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.88; (4)ACD/LogD (pH 7.4): 1.88; (5)ACD/BCF (pH 5.5): 15.9; (6)ACD/BCF (pH 7.4): 15.9; (7)ACD/KOC (pH 5.5): 252.09; (8)ACD/KOC (pH 7.4): 252.09; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 35.53 Å2; (13)Index of Refraction: 1.516; (14)Molar Refractivity: 46.35 cm3; (15)Molar Volume: 153.3 cm3; (16)Polarizability: 18.37×10-24cm3; (17)Surface Tension: 34.9 dyne/cm; (18)Density: 1.201 g/cm3; (19)Flash Point: 115.5 °C; (20)Enthalpy of Vaporization: 51.16 kJ/mol; (21)Boiling Point: 273.3 °C at 760 mmHg; (22)Vapour Pressure: 0.00579 mmHg at 25°C.

Production method of this chemical: The 6-Fluoroveratraldehyde could be obtained by the reactants of dichloro-methoxy-methane and 4-fluoroveratrole. This reaction needs the reagent of TiCl4, and the solvent of CH2Cl2. This reaction should be taken for 4.5 hours. The yield is 60 %.

Uses of this chemical: The 1,2-Dimethoxy-4-fluoro-5-chloromethylbenzene could be obtained by the reactant of 6-Fluoroveratraldehyde. This reaction needs the reagents of HCl gas, 37percent formalin, and the solvent of acetic acid. The yield is 98 %. This reaction should be taken at the temperature of 30 °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. You should wear suitable protective clothing when 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: Fc1cc(OC)c(OC)cc1C=O
2.InChI: InChI=1/C9H9FO3/c1-12-8-3-6(5-11)7(10)4-9(8)13-2/h3-5H,1-2H3
3.InChIKey: IBBYQNVXKFMSSI-UHFFFAOYAT

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