365823
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:
Molecular Weight:
209.10
EC Number:
MDL number:
UNSPSC Code:
12352100
PubChem Substance ID:
NACRES:
NA.22
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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.
Application
2-Fluoro-5-nitrobenzotrifluoride may be used in the synthesis of [3-(4-nitro-2-trifluoromethylphenyl)aminophenyl]dihydroxyborane.
Signal Word
Warning
Hazard Statements
Precautionary Statements
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
Regulatory Information
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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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