ChemicalBook--->CAS DataBase List--->700-37-8

700-37-8

700-37-8 Structure

700-37-8 Structure
IdentificationMore
[Name]

4-Chloro-2-fluoronitrobenzene
[CAS]

700-37-8
[Synonyms]

1-CHLORO-3-FLUORO-4-NITROBENZENE
2-FLUORO-4-CHLORONITROBENZENE
4-CHLORO-2-FLUORO-1-NITROBENZENE
4-CHLORO-2-FLUORONITROBENZENE
Chlorofluoronitrobenzene
4-Chlor-2-fluor-1-nitrobenzol
2-fluoro-4-chloroitrobenzene
4-Chloro-5-fluoronitrobenzene
4-CHLORO-2-FLUORONITROBENZENE 95+%
1-Nitro-2-fluoro-4-chlorobenzene
[EINECS(EC#)]

211-842-5
[Molecular Formula]

C6H3ClFNO2
[MDL Number]

MFCD00042211
[Molecular Weight]

175.54
[MOL File]

700-37-8.mol
Chemical PropertiesBack Directory
[Melting point ]

48°C
[Boiling point ]

241.8±20.0 °C(Predicted)
[density ]

1.494±0.06 g/cm3(Predicted)
[Fp ]

>110℃
[storage temp. ]

Sealed in dry,Room Temperature
[form ]

powder to crystal
[color ]

White to Light yellow to Green
[InChI]

InChI=1S/C6H3ClFNO2/c7-4-1-2-6(9(10)11)5(8)3-4/h1-3H
[InChIKey]

PTCPUGKKWNMITF-UHFFFAOYSA-N
[SMILES]

C1([N+]([O-])=O)=CC=C(Cl)C=C1F
[CAS DataBase Reference]

700-37-8(CAS DataBase Reference)
Safety DataBack Directory
[Hazard Codes ]

Xi
[Risk Statements ]

R20/21/22:Harmful by inhalation, in contact with skin and if swallowed .
R36/37/38:Irritating to eyes, respiratory system and skin .
[Safety Statements ]

S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection .
[WGK Germany ]

WGK 3
[Hazard Note ]

Irritant
[HazardClass ]

IRRITANT
[HS Code ]

29042090
[Storage Class]

11 - Combustible Solids
[Hazard Classifications]

Acute Tox. 4 Oral
Hazard InformationBack Directory
[Description]

4-chloro-2-fluoronitrobenzene is a vital farming intermediate approximately, such as synthetic low toxicity, broad spectrum, ultra-high efficiency weedicide fluthiacetmethyl. The existing synthetic method has a great majority of 2, and 4-dichloronitrobenzene is a starting raw material, so prepare 4-chloro-2-fluoronitrobenzene through the halogen replacement(metathesis)reaction.
[Chemical Properties]

Pale yellow solid
[Synthesis]

2,4-Dichloronitrobenzene

611-06-3

2,4-Difluoronitrobenzene

446-35-5

4-Chloro-2-fluoronitrobenzene

700-37-8

General procedure: Potassium fluoride (KF), 2,4-dichloronitrobenzene (DCNB) and solvent are added to a Schott tube or reactor, which is subjected to a nitrogen atmosphere. Subsequently, the reaction mixture is heated at the specified temperature for 4 hours. Upon completion of the reaction, the reaction mixture is filtered and analyzed by gas chromatography. Example 1: In this example, the following reaction conditions were used: a molar ratio of 2,4-dichloronitrobenzene (DCNB) to potassium fluoride (KF) of 1:2 (the actual amount used was 1.05 times the theoretical amount), and tetramethylammonium chloride (TMAC) in an amount of 0.04 times the molar amount of DCNB. The reaction was carried out at 170 °C for 4 h, using a Schott tube as the reaction vessel. Numbers in parentheses indicate the molar ratio relative to the substrate (DCNB).

[References]

[1] Patent: US2004/24238, 2004, A1. Location in patent: Page 5
[2] Patent: US2004/24238, 2004, A1. Location in patent: Page 6
[3] Patent: US2004/24238, 2004, A1. Location in patent: Page 5
[4] Patent: US2004/24238, 2004, A1. Location in patent: Page 5
[5] Patent: US2004/24238, 2004, A1. Location in patent: Page 5
Spectrum DetailBack Directory
[Spectrum Detail]

4-Chloro-2-fluoronitrobenzene(700-37-8)MS
4-Chloro-2-fluoronitrobenzene(700-37-8)1HNMR
4-Chloro-2-fluoronitrobenzene(700-37-8)13CNMR
4-Chloro-2-fluoronitrobenzene(700-37-8)IR1
4-Chloro-2-fluoronitrobenzene(700-37-8)IR2
Well-known Reagent Company Product InformationBack Directory
[TCI AMERICA]

4-Chloro-2-fluoronitrobenzene,>95.0%(GC)(700-37-8)
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