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F10801

Sigma-Aldrich

1-Fluoro-2-nitrobenzene

99%

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About This Item

Linear Formula:
FC6H4NO2
CAS Number:
1493-27-2
Molecular Weight:
141.10
Beilstein:
607262
EC Number:
216-088-0
MDL number:
MFCD00007048
UNSPSC Code:
12352100
PubChem Substance ID:
24894745
NACRES:
NA.22

Assay

99%

form

liquid

refractive index

n20/D 1.532 (lit.)

bp

116 °C/22 mmHg (lit.)

mp

−9-−6 °C (lit.)

density

1.338 g/mL at 25 °C (lit.)

SMILES string

[O-][N+](=O)c1ccccc1F

InChI

1S/C6H4FNO2/c7-5-3-1-2-4-6(5)8(9)10/h1-4H

InChI key

PWKNBLFSJAVFAB-UHFFFAOYSA-N

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Signal Word

Danger

Hazard Classifications

Acute Tox. 3 Dermal - Acute Tox. 4 Inhalation - Acute Tox. 4 Oral - Aquatic Chronic 2 - STOT RE 1

Storage Class Code

6.1C - Combustible acute toxic Cat.3 / toxic compounds or compounds which causing chronic effects

WGK

WGK 3

Flash Point(F)

201.2 °F - closed cup

Flash Point(C)

94 °C - closed cup

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

Certificates of Analysis (COA)

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N Tuset et al.
Allergologia et immunopathologia, 14(6), 489-497 (1986-11-01)
The multi-functionality of a given antibody, even monoclonal antibody has recently been shown; this raises the possibility that the specificity of an antiserum be due to a population phenomena; i.e., the specificity would be the net result of the affinity
V Arjunan et al.
Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy, 84(1), 196-209 (2011-10-14)
Experimental FTIR, FT-Raman and FT-NMR spectroscopic studies of o-fluoronitrobenzene and p-fluoronitrobenzene have been carried out. A detailed quantum chemical calculations have been performed using DFT/B3LYP method with 6-311++G** and 6-31G** basis sets. Complete vibrational analyses of the compounds were performed.
S Ramalingam et al.
Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy, 94, 318-330 (2012-04-27)
In the present investigation, the FT-IR/FT-Raman spectra of the m-fluoronitrobenzene (m-FNBZ) are recorded. The fundamental frequencies are assigned and the computational calculations are performed by DFT (B3LYP, B3PW91 and MPW1PW91) methods with 6-31++G(d,p) and 6-311++G(d,p) basis sets and the corresponding
Krishnananda Samanta et al.
Organic & biomolecular chemistry, 8(12), 2823-2828 (2010-04-24)
A new series of enantiomerically pure 2,3,4,4a,5,6-hexahydro-1H-pyrazino[1,2-a]quinoxalines were synthesized for the first time in twelve steps from 1-fluoro-2-nitrobenzene and S-amino acids with 13-20% overall yields. First use of intramolecular Mitsunobu cyclization for 1,2,3,4-tetrahydroquinoxalines followed by PPh(3)/I(2)/imidazole mediated 6-exo-tet cyclization were
V Udayakumar et al.
Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy, 83(1), 575-586 (2011-10-01)
FT-IR and FT-Raman spectra of p-fluoronitrobenzene (FNO(2)C(6)H(4)) have been recorded in the region 4000-100 cm(-1). In this work, the experimental and theoretical spectra of p-fluoronitrobenzene (p-FNBz) are studied. The molecular geometry and vibrational frequencies are calculated in the ground state
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