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365823

Sigma-Aldrich

2-Fluoro-5-nitrobenzotrifluoride

98%

Synonym(s):

5-Nitro-α,α,α,2-tetrafluorotoluene

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About This Item

Linear Formula:
FC6H3(NO2)CF3
CAS Number:
400-74-8
Molecular Weight:
209.10
EC Number:
206-925-8
MDL number:
MFCD00024576
UNSPSC Code:
12352100
PubChem Substance ID:
24862583
NACRES:
NA.22

Assay

98%

form

liquid

refractive index

n20/D 1.465 (lit.)

bp

105-110 °C/25 mmHg (lit.)

density

1.522 g/mL at 25 °C (lit.)

functional group

fluoro
nitro

SMILES string

[O-][N+](=O)c1ccc(F)c(c1)C(F)(F)F

InChI

1S/C7H3F4NO2/c8-6-2-1-4(12(13)14)3-5(6)7(9,10)11/h1-3H

InChI key

DNTHMWUMRGOJRY-UHFFFAOYSA-N

General description

2-Fluoro-5-nitrobenzotrifluoride is formed during the fluorodenitration of 2-(4-chlorobenzene sulfonyl)-5-nitrotrifluoride using tetramethyl ammonium fluoride.[1]

Application

2-Fluoro-5-nitrobenzotrifluoride may be used in the synthesis of [3-(4-nitro-2-trifluoromethylphenyl)aminophenyl]dihydroxyborane.[2]

Pictograms

Exclamation mark
GHS07

Signal Word

Warning

Hazard Statements

H315,H319,H335

Hazard Classifications

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)

197.6 °F - closed cup

Flash Point(C)

92 °C - closed cup

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

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Certificates of Analysis (COA)

Lot/Batch Number
MKCT1996
MKBX5152V
07396PJ
09813TH
04018EH

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Isomerisation accompanying fluorodenitration of trifluoromethyl activated diphenyl sulfones.
Clark JH and Wails D.
Tetrahedron Letters, 34(24), 3901-3902 (1993)
Tatsuya Higashi et al.
Analytical sciences : the international journal of the Japan Society for Analytical Chemistry, 18(12), 1301-1307 (2002-12-28)
Derivatization of neutral steroids for increasing sensitivity in liquid chromatography/negative atmospheric pressure chemical ionization-mass spectrometry (APCI-MS) has been examined. Under APCI conditions, gas-phase electrons are provided by the corona discharge and captured by electron-affinitive compounds. In negative APCI-MS, therefore, ultrahigh

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