1-Fluoro-3-nitrobenzene

The CAS register number of Benzene,1-fluoro-3-nitro- is 402-67-5. It also can be called as 3-Fluoronitrobenzene and the IUPAC name about this chemical is 1-fluoro-3-nitrobenzene. The molecular formula about this chemical is C₆H₄FNO₂ and the molecular weight is 141.10. It belongs to the following product categories, such as Fluoro-Aromatics; Fluorine Compounds; Nitro Compounds; Nitro Compounds; Nitrogen Compounds; Organic Building Blocks and so on. This chemical can be used in synthesis of medicine, pesticides, dyes, liquid crystal materials and so on.

Physical properties about Benzene,1-fluoro-3-nitro- are: (1)ACD/LogP: 1.90; (2)ACD/LogD (pH 5.5): 1.9; (3)ACD/LogD (pH 7.4): 1.9; (4)#H bond acceptors: 3; (5)#Freely Rotating Bonds: 1; (6)Polar Surface Area: 45.82Ų; (7)Index of Refraction: 1.534; (8)Molar Refractivity: 32.79 cm³; (9)Molar Volume: 105.4 cm³; (10)Polarizability: 12.99x10^-24cm³; (11)Surface Tension: 42.8 dyne/cm; (12)Enthalpy of Vaporization: 41.82 kJ/mol; (13)Boiling Point: 199.8 °C at 760 mmHg; (14)Vapour Pressure: 0.473 mmHg at 25°C.

Preparation: this chemical can be prepared by 3-nitro-aniline. This reaction will need reagent NaNO₂, HF, pyridine. The reaction time is 10 min with reaction temperature of 20 °C.

Uses of Benzene,1-fluoro-3-nitro-: it can be used to produce 4-fluoro-1,2-dinitro-benzene at temperature of 0 - 20 ℃. This reaction is a kind of Nitration. It will need reagent urea nitrate,
H₂SO₄. The yield is about 77%.

Dinitrobenzene reacts with potassium fluoride can produce Benzene,1-fluoro-3-nitro-.

When you are using this chemical, please be cautious about it as the following:
This chemical is toxic by inhalation, in contact with skin and if swallowed and it is harmful by inhalation, in contact with skin and if swallowed. When you are using it, wear suitable protective clothing and gloves. In case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.)

You can still convert the following datas into molecular structure:
(1)SMILES: O=[N+]([O-])c1cc(F)ccc1
(2)InChI: InChI=1/C6H4FNO2/c7-5-2-1-3-6(4-5)8(9)10/h1-4H
(3)InChIKey: WMASLRCNNKMRFP-UHFFFAOYAU
(4)Std. InChI: InChI=1S/C6H4FNO2/c7-5-2-1-3-6(4-5)8(9)10/h1-4H
(5)Std. InChIKey: WMASLRCNNKMRFP-UHFFFAOYSA-N