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346640

4-Fluoro-3-nitrobenzotrifluoride

96%

Synonym(s):

3-Nitro-α,α,α,4-tetrafluorotoluene, 4,α,α,α-Tetrafluoro-3-nitrotoluene, FNBT

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About This Item

Linear Formula:
FC6H3(NO2)CF3
CAS Number:
367-86-2
Molecular Weight:
209.10
UNSPSC Code:
12352100
NACRES:
NA.22
PubChem Substance ID:
24861423
EC Number:
206-702-5
Beilstein/REAXYS Number:
1880508
MDL number:
MFCD00007059
Assay:
96%
Form:
liquid
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Quality Level

100

assay

96%

form

liquid

refractive index

n20/D 1.462 (lit.)

bp

92 °C/15 mmHg (lit.)

density

1.494 g/mL at 25 °C (lit.)

functional group

fluoro, nitro

SMILES string

[O-][N+](=O)c1cc(ccc1F)C(F)(F)F

InChI

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

InChI key

HLDFCCHSOZWKAA-UHFFFAOYSA-N

Application

4-Fluoro-3-nitrobenzotrifluoride was used in the pre-column derivatization technique for HPLC with UV/VIS spectrophotometric detection of polyamines. It may be used as derivatization reagent for the HPLC determination of polyamines (spermidine, spermine and the diamine precursor putrescine). It was also used in the synthesis of:
  • 2-nitro-4-trifluoromethylphenylhydrazine, derivatization reagent for 1,2-diol compounds and oxo-steroids
  • [3-(2-nitro-4-trifluoromethylphenyl)aminophenyl]dihydroxyborane, derivatization reagent for 1,2-diol compounds and oxo-steroids
  • 1-(3-chlorophenyl)-5-trifluoromethyl-3-hydrobenzimidazol-2-one

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pictograms

FlameExclamation mark
GHS02,GHS07

signalword

Warning

Hazard Classifications

Eye Irrit. 2 - Flam. Liq. 3 - Skin Irrit. 2 - STOT SE 3

target_organs

Respiratory system

Storage Class

3 - Flammable liquids

wgk

WGK 3

flash_point_f

91.4 °F - closed cup

flash_point_c

33 °C - closed cup

ppe

Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter

Regulatory Information

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Certificates of Analysis (COA)

Lot/Batch Number
01210HJ
04831JH
00614DW

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C Molins-Legua et al.
The Analyst, 124(4), 477-482 (1999-12-22)
The derivatization of biogenic amines such as putrescine, cadaverine, spermidine and spermine with dansyl chloride in solid phase extraction cartridges is described. Different types of filling materials were tested in order to have the highest retention of the different analytes.
B.P. Spragg, A.D. Hutchings
Journal of Chromatography A, 258, 289-289 (1983)
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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Global Trade Item Number

SKUGTIN
346640-100G04061826761298