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2,4-Difluorophenol

2,4-Difluorophenol structure

CAS No:
367-27-1
Formula:
C6H4F2O
Chemical Name:
2,4-Difluorophenol
Synonyms:
Phenol,2,4-difluoro-;2,4-Difluorophenol
Categories:
Organic Chemistry > Organic Fluorine Compound

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Description

clear yellow-green liquid after melting

2,4-Difluorophenol Basic Attributes

Molecular Weight：

130.09

Exact Mass：

130.09

BRN：

1934803

EC Number：

206-688-0

DSSTox ID：

DTXSID50190142

HScode：

29081000

Characteristics

PSA：

20.2

XLogP3：

Appearance：

clear, yellow liquid

Density：

1.4±0.1 g/cm3

Melting Point：

22.4 °C

Boiling Point：

52-53 °C

Flash Point：

134 °F

Refractive Index：

1.496

Water Solubility：

H2O: slightly soluble

Storage Conditions：

Flammables area

Safety Information

Packing level：

III

Hazard category：

Transport codes：

1992

wgk germany：

hazard class code：

20/21/22-37/38-41-34-11-36/37/38

safety instructions：

26-36/37/39-45-16

Marks：

Xn,Xi,C,F

Hazard note：

Harmful

Stability/Shelf Life：

Stable at room temperature in closed containers under normal storage and handling conditions.

Precautionary statement(s)：

P261-P280-P305 + P351 + P338

Hazard Statements：

H302 + H312 + H332-H315-H318-H335

2,4-Difluorophenol Use and Manufacturing

Methods of Manufacturing

General procedure: In a 50 mL round-bottomed flask, a mixture of arylboronic acid(1 mmol), H2O2 (30percent aq, 0.2 mL), ZnO nanocatalyst (5 molpercent; sampleZnO-1) and 2 mL of water were stirred at room temperature under aerobic condition. The progress of the reaction was monitored by thin layer chromatography (TLC). After completion of the reaction, the reaction mixture was diluted with 20 mL of water and extracted with (3×20) mL of diethyl ether. The combined organic layer was washed with brine and dried over Na2SO4. The solvent was removed in a rotary evaporator under reduced pressure. The crude product was purified by column chromatography (hexane/ ethylacetate, 9:1) on silica (100–200mesh) to get the desired product. The products were identified by 1HNMR and 13C NMR.General procedure: In a 50mL round-bottomed flask, a mixture of arylboronic acid (1mmol), HGeneral procedure: A mixture of phenol (20 mg), F‐TEDA‐BF4 (1.1 equivalents), IL(0‐15 equivalents) and the organic solvent (5 mL) was stirred for 5 h at various temperatures under an argo atmosphere (Tables 1‐5). The mixture was evaporated at a reduced pressure and analysed by 1H, 19F NMR assolution in CDCl3 or CDCl3‐DMSO‐d6. Cl2CHCHCl2 and PhCF3 were used as internal standards for peakintegration.

Uses

Used as pesticide, medicine and dye intermediate

Computed Properties

Molecular Weight:130.09
XLogP3:2
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Exact Mass:130.02302107
Monoisotopic Mass:130.02302107
Topological Polar Surface Area:20.2
Heavy Atom Count:9
Complexity:97.1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Material

Phenol

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