 Home > Encyclopedia > 4-Fluoro-2-nitrophenol

4-Fluoro-2-nitrophenol

4-Fluoro-2-nitrophenol structure

CAS No:
394-33-2
Formula:
C6H4FNO3
Chemical Name:
4-Fluoro-2-nitrophenol
Synonyms:
Phenol,4-fluoro-2-nitro-;4-Fluoro-2-nitrophenol;2-Nitro-4-fluorophenol;2-Hydroxy-5-fluoronitrobenzene;NSC 10283
Categories:
Organic Chemistry > Organic Fluorine Compound

Request for Quotation

Description

yellow crystalline powder

4-Fluoro-2-nitrophenol Basic Attributes

Molecular Weight：

157.1

Exact Mass：

157.10

BRN：

1950412

NSC Number：

10283

DSSTox ID：

DTXSID2075348

HScode：

29089000

Characteristics

PSA：

XLogP3：

1.9

Appearance：

Light yellow crystalline powder

Density：

1.5±0.1 g/cm3

Melting Point：

73.7 °C

Boiling Point：

234.1°C at 760 mmHg

Flash Point：

95.4±21.8 °C

Refractive Index：

1.582

Safety Information

Hazard category：

IRRITANT

Transport codes：

NONH for all modes of transport

wgk germany：

hazard class code：

20/21/22-36/37/38

safety instructions：

26-36-37/39

Marks：

Xn,Xi

Hazard note：

Irritant

Precautionary statement(s)：

P261-P280-P305 + P351 + P338

Hazard Statements：

H302-H312-H315-H319-H332-H335

GHS Classification：

|Warning|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, and P501|Aggregated GHS information provided by 46 companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

4-Fluoro-2-nitrophenol Use and Manufacturing

General procedure: To a solution of phenol (1 mmol) in acetone (5 mL) wasadded silica supported Al(NO3)3·9H2O (1 mmol) and theresulting mixture stirred at room temperature. After completionof the reaction, as indicated by TLC, the reaction masswas filtered and the residue (silica) was washed with ethylacetate (2 5 mL). The filtrate and the washing were collectivelyconcentrated under reduced pressure, and the crudecompound was purified by column chromatography oversilica gel (100-200 mesh) to afford the pure ortho-nitro phenol(95percent) and para- nitro phenol (3percent).General procedure: To a Schlenk tube were added Phenol 1 (0.3 mmol), tert-Butyl nitrite 2a (0.6mmol), H2O (0.6 mmol), and THF (2 mL). Then the tube was stirred at 25 oC under airatmosphere for the indicated time until complete consumption of starting materialmonitored by TLC analysis. After the reaction was finished, the organic extracts weredried over anhydrous Na2SO4, concentrated in vacuum, and the resulting residue waspurified by silica gel column chromatography (hexane/ethyl acetate) to afford thedesired product 3.

Computed Properties

Molecular Weight:157.10
XLogP3:1.9
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Exact Mass:157.01752115
Monoisotopic Mass:157.01752115
Topological Polar Surface Area:66
Heavy Atom Count:11
Complexity:158
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes