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Home > Encyclopedia > 4-Chloro-2-fluoro-1-nitrobenzene

4-Chloro-2-fluoro-1-nitrobenzene

4-Chloro-2-fluoro-1-nitrobenzene structure

4-Chloro-2-fluoro-1-nitrobenzene 

structure
  • CAS No:

    700-37-8

  • Formula:

    C6H3ClFNO2

  • Chemical Name:

    4-Chloro-2-fluoro-1-nitrobenzene

  • Synonyms:

    Benzene,4-chloro-2-fluoro-1-nitro-;4-Chloro-2-fluoro-1-nitrobenzene;4-Chloro-2-fluoronitrobenzene;1-Chloro-3-fluoro-4-nitrobenzene

  • Categories:

    Organic Chemistry  >  Organic Fluorine Compound

Description

Pale yellow solid

4-Chloro-2-fluoro-1-nitrobenzene Basic Attributes

175.54

175.54

211-842-5

DTXSID40220260

2904909090

Characteristics

45.8

2.6

light brown solid

1.5±0.1 g/cm3

48-49 °C

241.8°C at 760 mmHg

>110℃

1.555

Safety Information

IRRITANT

20/21/22-36/37/38-22

26-36/37/39-37

Xi,Xn

Irritant

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, P501

H302

|Warning|H302+H312+H332 (33.33%): Harmful if swallowed, in contact with skin or if inhaled [Warning Acute toxicity, oral; acute toxicity, dermal; acute toxicity, inhalation]|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 3 companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

4-Chloro-2-fluoro-1-nitrobenzene Use and Manufacturing

EXAMPLES General Procedure for the Examples [0094] The potassium fluoride, the 2, 4-dichloronitrobenzene and the solvent are charged to a Schott tube or reactor placed under a nitrogen atmosphere and then heating is carried out at the temperature indicated for 4 h. After 4 h, the reaction mixture is subsequently filtered and analyzed by gas chromatography. [0095] In this example, the general procedure was used under the following conditions: dichloronitrobenzene (DCNB) with the amount of potassium fluoride stoichiometrically necessary for a double exchange (in fact, a slight excess equal to 1.05 SA) and an amount of tetramethylammonium chloride (TMAC) equal to 0.04 times the amount of dichloronitrobenzene, expressed in moles. The figures between brackets located before the name of the chemical product express its molar ratio, the substrate being taken as reference. (1) DCNB+(2) KF+(0.04) TMAC+(3) Solvent/170° C., 4 h, Schott tubes[0097] Test Under Microwaves in Adiponitrile [0098] The test molecule is in this instance DCNB with solely cesium fluoride. [0099] Characteristics of the equipment used for the text: [0100] the reactor is made of quartz and has a volume of 40 ml [0101] the stirrer is made of glass [0102] the maximum power of the generator is 300 W. [0103] Temperature regulation is manual and not automatic; the power of the microwave radiation is adjusted manually as a function of time to keep the temperature constant. All the compounds are introduced at ambient temperature; the microwave radiation is switched on and operates at full power (P=300 W) until the desired temperature is achieved. The power of the generator is then adjusted in order to keep the medium at the desired temperature. [0104] The molar ratios with respect to DCNB are as follows:EXAMPLES General Procedure for the Examples [0094] The potassium fluoride, the 2, 4-dichloronitrobenzene and the solvent are charged to a Schott tube or reactor placed under a nitrogen atmosphere and then heating is carried out at the temperature indicated for 4 h. After 4 h, the reaction mixture is subsequently filtered and analyzed by gas chromatography. [0095] In this example, the general procedure was used under the following conditions: dichloronitrobenzene (DCNB) with the amount of potassium fluoride stoichiometrically necessary for a double exchange (in fact, a slight excess equal to 1.05 SA) and an amount of tetramethylammonium chloride (TMAC) equal to 0.04 times the amount of dichloronitrobenzene, expressed in moles. The figures between brackets located before the name of the chemical product express its molar ratio, the substrate being taken as reference. (1) DCNB+(2) KF+(0.04) TMAC+(3) Solvent/170° C., 4 h, Schott tubesEXAMPLES General Procedure for the Examples [0094] The potassium fluoride, the 2, 4-dichloronitrobenzene and the solvent are charged to a Schott tube or reactor placed under a nitrogen atmosphere and then heating is carried out at the temperature indicated for 4 h. After 4 h, the reaction mixture is subsequently filtered and analyzed by gas chromatography. [0095] In this example, the general procedure was used under the following conditions: dichloronitrobenzene (DCNB) with the amount of potassium fluoride stoichiometrically necessary for a double exchange (in fact, a slight excess equal to 1.05 SA) and an amount of tetramethylammonium chloride (TMAC) equal to 0.04 times the amount of dichloronitrobenzene, expressed in moles. The figures between brackets located before the name of the chemical product express its molar ratio, the substrate being taken as reference. (1) DCNB+(2) KF+(0.04) TMAC+(3) Solvent/170° C., 4 h, Schott tubesEXAMPLES General Procedure for the Examples [0094] The potassium fluoride, the 2, 4-dichloronitrobenzene and the solvent are charged to a Schott tube or reactor placed under a nitrogen atmosphere and then heating is carried out at the temperature indicated for 4 h. After 4 h, the reaction mixture is subsequently filtered and analyzed by gas chromatography. [0095] In this example, the general procedure was used under the following conditions: dichloronitrobenzene (DCNB) with the amount of potassium fluoride stoichiometrically necessary for a double exchange (in fact, a slight excess equal to 1.05 SA) and an amount of tetramethylammonium chloride (TMAC) equal to 0.04 times the amount of dichloronitrobenzene, expressed in moles. The figures between brackets located before the name of the chemical product express its molar ratio, the substrate being taken as reference. (1) DCNB+(2) KF+(0.04) TMAC+(3) Solvent/170° C., 4 h, Schott tubesEXAMPLES General Procedure for the Examples [0094] The potassium fluoride, the 2, 4-dichloronitrobenzene and the solvent are charged to a Schott tube or reactor placed under a nitrogen atmosphere and then heating is carried out at the temperature indicated for 4 h. After 4 h, the reaction mixture is subsequently filtered and analyzed by gas chromatography. [0095] In this example, the general procedure was used under the following conditions: dichloronitrobenzene (DCNB) with the amount of potassium fluoride stoichiometrically necessary for a double exchange (in fact, a slight excess equal to 1.05 SA) and an amount of tetramethylammonium chloride (TMAC) equal to 0.04 times the amount of dichloronitrobenzene, expressed in moles. The figures between brackets located before the name of the chemical product express its molar ratio, the substrate being taken as reference. (1) DCNB+(2) KF+(0.04) TMAC+(3) Solvent/170° C., 4 h, Schott tubesEXAMPLES General Procedure for the Examples [0094] The potassium fluoride, the 2, 4-dichloronitrobenzene and the solvent are charged to a Schott tube or reactor placed under a nitrogen atmosphere and then heating is carried out at the temperature indicated for 4 h. After 4 h, the reaction mixture is subsequently filtered and analyzed by gas chromatography. [0095] In this example, the general procedure was used under the following conditions: dichloronitrobenzene (DCNB) with the amount of potassium fluoride stoichiometrically necessary for a double exchange (in fact, a slight excess equal to 1.05 SA) and an amount of tetramethylammonium chloride (TMAC) equal to 0.04 times the amount of dichloronitrobenzene, expressed in moles. The figures between brackets located before the name of the chemical product express its molar ratio, the substrate being taken as reference. (1) DCNB+(2) KF+(0.04) TMAC+(3) Solvent/170° C., 4 h, Schott tubesEXAMPLES General Procedure for the Examples [0094] The potassium fluoride, the 2, 4-dichloronitrobenzene and the solvent are charged to a Schott tube or reactor placed under a nitrogen atmosphere and then heating is carried out at the temperature indicated for 4 h. After 4 h, the reaction mixture is subsequently filtered and analyzed by gas chromatography. [0095] In this example, the general procedure was used under the following conditions: dichloronitrobenzene (DCNB) with the amount of potassium fluoride stoichiometrically necessary for a double exchange (in fact, a slight excess equal to 1.05 SA) and an amount of tetramethylammonium chloride (TMAC) equal to 0.04 times the amount of dichloronitrobenzene, expressed in moles. The figures between brackets located before the name of the chemical product express its molar ratio, the substrate being taken as reference. (1) DCNB+(2) KF+(0.04) TMAC+(3) Solvent/170° C., 4 h, Schott tubesEXAMPLES General Procedure for the Examples [0094] The potassium fluoride, the 2, 4-dichloronitrobenzene and the solvent are charged to a Schott tube or reactor placed under a nitrogen atmosphere and then heating is carried out at the temperature indicated for 4 h. After 4 h, the reaction mixture is subsequently filtered and analyzed by gas chromatography. [0095] In this example, the general procedure was used under the following conditions: dichloronitrobenzene (DCNB) with the amount of potassium fluoride stoichiometrically necessary for a double exchange (in fact, a slight excess equal to 1.05 SA) and an amount of tetramethylammonium chloride (TMAC) equal to 0.04 times the amount of dichloronitrobenzene, expressed in moles. The figures between brackets located before the name of the chemical product express its molar ratio, the substrate being taken as reference. (1) DCNB+(2) KF+(0.04) TMAC+(3) Solvent/170° C., 4 h, Schott tubesEXAMPLES General Procedure for the Examples [0094] The potassium fluoride, the 2, 4-dichloronitrobenzene and the solvent are charged to a Schott tube or reactor placed under a nitrogen atmosphere and then heating is carried out at the temperature indicated for 4 h. After 4 h, the reaction mixture is subsequently filtered and analyzed by gas chromatography. [0095] In this example, the general procedure was used under the following conditions: dichloronitrobenzene (DCNB) with the amount of potassium fluoride stoichiometrically necessary for a double exchange (in fact, a slight excess equal to 1.05 SA) and an amount of tetramethylammonium chloride (TMAC) equal to 0.04 times the amount of dichloronitrobenzene, expressed in moles. The figures between brackets located before the name of the chemical product express its molar ratio, the substrate being taken as reference. (1) DCNB+(2) KF+(0.04) TMAC+(3) Solvent/170° C., 4 h, Schott tubesEXAMPLES General Procedure for the Examples [0094] The potassium fluoride, the 2, 4-dichloronitrobenzene and the solvent are charged to a Schott tube or reactor placed under a nitrogen atmosphere and then heating is carried out at the temperature indicated for 4 h. After 4 h, the reaction mixture is subsequently filtered and analyzed by gas chromatography. [0095] In this example, the general procedure was used under the following conditions: dichloronitrobenzene (DCNB) with the amount of potassium fluoride stoichiometrically necessary for a double exchange (in fact, a slight excess equal to 1.05 SA) and an amount of tetramethylammonium chloride (TMAC) equal to 0.04 times the amount of dichloronitrobenzene, expressed in moles. The figures between brackets located before the name of the chemical product express its molar ratio, the substrate being taken as reference. (1) DCNB+(2) KF+(0.04) TMAC+(3) Solvent/170° C., 4 h, Schott tubesEXAMPLES General Procedure for the Examples [0094] The potassium fluoride, the 2, 4-dichloronitrobenzene and the solvent are charged to a Schott tube or reactor placed under a nitrogen atmosphere and then heating is carried out at the temperature indicated for 4 h. After 4 h, the reaction mixture is subsequently filtered and analyzed by gas chromatography. [0095] In this example, the general procedure was used under the following conditions: dichloronitrobenzene (DCNB) with the amount of potassium fluoride stoichiometrically necessary for a double exchange (in fact, a slight excess equal to 1.05 SA) and an amount of tetramethylammonium chloride (TMAC) equal to 0.04 times the amount of dichloronitrobenzene, expressed in moles. The figures between brackets located before the name of the chemical product express its molar ratio, the substrate being taken as reference. (1) DCNB+(2) KF+(0.04) TMAC+(3) Solvent/170° C., 4 h, Schott tubesEXAMPLES General Procedure for the Examples [0094] The potassium fluoride, the 2, 4-dichloronitrobenzene and the solvent are charged to a Schott tube or reactor placed under a nitrogen atmosphere and then heating is carried out at the temperature indicated for 4 h. After 4 h, the reaction mixture is subsequently filtered and analyzed by gas chromatography. [0095] In this example, the general procedure was used under the following conditions: dichloronitrobenzene (DCNB) with the amount of potassium fluoride stoichiometrically necessary for a double exchange (in fact, a slight excess equal to 1.05 SA) and an amount of tetramethylammonium chloride (TMAC) equal to 0.04 times the amount of dichloronitrobenzene, expressed in moles. The figures between brackets located before the name of the chemical product express its molar ratio, the substrate being taken as reference. (1) DCNB+(2) KF+(0.04) TMAC+(3) Solvent/170° C., 4 h, Schott tubes

Computed Properties

Molecular Weight:175.54
XLogP3:2.6
Hydrogen Bond Acceptor Count:3
Exact Mass:174.9836342
Monoisotopic Mass:174.9836342
Topological Polar Surface Area:45.8
Heavy Atom Count:11
Complexity:161
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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