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Merck
CN

338362

2,3,4-Trifluoronitrobenzene

99%

Synonym(s):

1,2,3-Trifluoro-4-nitrobenzene, 4-Nitro-1,2,3-trifluorobenzene

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About This Item

Linear Formula:
F3C6H2NO2
CAS Number:
771-69-7
Molecular Weight:
177.08
EC Number:
212-238-4
MDL number:
MFCD00041546
UNSPSC Code:
12352100
PubChem Substance ID:
24860539
NACRES:
NA.22

Key Documents

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Assay

99%

form

liquid

refractive index

n20/D 1.492 (lit.)

bp

92 °C/20 mmHg (lit.)

density

1.541 g/mL at 25 °C (lit.)

functional group

fluoro
nitro

SMILES string

[O-][N+](=O)c1ccc(F)c(F)c1F

InChI

1S/C6H2F3NO2/c7-3-1-2-4(10(11)12)6(9)5(3)8/h1-2H

InChI key

ARCACZWMYGILNI-UHFFFAOYSA-N

General description

2,3,4-Trifluoronitrobenzene is a fluoronitrobenzene and its biotransformation under methanogenic conditions has been studied by semicontinuous and batch tests. 2,3,4-Trifluoronitrobenzene is an important pharmaceutical intermediate.

Application

2,3,4-Trifluoronitrobenzene was employed as starting reagent in the synthesis of ofloxacin. It was also used in the synthesis of the third generation quinolones antibacterial drugs.

Pictograms

Exclamation mark
GHS07

Signal Word

Warning

Hazard Classifications

Acute Tox. 4 Dermal - Acute Tox. 4 Inhalation - Acute Tox. 4 Oral - Eye Irrit. 2 - Skin Irrit. 2 - STOT SE 3

Target Organs

Respiratory system

Storage Class Code

10 - Combustible liquids

WGK

WGK 3

Flash Point(F)

199.4 °F - closed cup

Flash Point(C)

93 °C - closed cup

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

Regulatory Information

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Certificates of Analysis (COA)

Lot/Batch Number
MKBJ8362V
MKBB0516V
MKBB0516
01319PH
16729KD

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Analytical profile of the fluoroquinolone antibacterials. I. Ofloxacin.
Okeri HA and Arhewoh IM.
African Journal of Biotechnology, 7(6) (2008)
Ultrasonic Promoted in Synthesis of 2, 3, 4-trichloronitrobenzene [J].
Yunqiang L and Guohui C.
Guangzhou Chemical Industry/ Guangzhou Huagong, 3, 024-024 (2009)
Zhiqing Zhao et al.
Journal of environmental science and health. Part A, Toxic/hazardous substances & environmental engineering, 49(10), 1187-1197 (2014-05-23)
The fluorinated compounds are becoming a ubiquitous class of environmental contaminants because of their widespread applications, and their fate is a matter of great concern under anaerobic environment. In this work, the biotransformation of five fluoronitrobenzenes (FNBs), i.e., 2-fluoronitrobenzene (2-FNB)

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