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4-Fluoro-2-nitrotoluene

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Name

4-Fluoro-2-nitrotoluene

EINECS 207-161-8
CAS No. 446-10-6 Density 1.274 g/cm3
PSA 45.82000 LogP 2.56550
Solubility Insoluble in water Melting Point 27 °C
Formula C7H6FNO2 Boiling Point 214.3 °C at 760 mmHg
Molecular Weight 155.129 Flash Point 98.9 °C
Transport Information UN 2811 Appearance Colorless to light yellow liquid
Safety 26-45-37-28A Risk Codes 22-36/37/38
Molecular Structure Molecular Structure of 446-10-6 (4-Fluoro-2-nitrotoluene) Hazard Symbols HarmfulXn,IrritantXi,ToxicT
Synonyms

Benzene, 4-fluoro-1-methyl-2-nitro-;2-Nitro-4-fluorotoluene;1-Fluoro-4-methyl-2-nitrobenzene;4-fluoro-1-methyl-2-nitro-benzene;Toluene, 4-fluoro-2-nitro-;

Article Data 20

4-Fluoro-2-nitrotoluene Specification

The 2-Nitro-4-fluorotoluene with CAS registry number of 446-10-6 is also known as Benzene, 4-fluoro-1-methyl-2-nitro-. The IUPAC name is 4-Fluoro-1-methyl-2-nitrobenzene. It belongs to product categories of Fluorin-contained Toluene Series; Fluorobenzene; Aromatic Hydrocarbons (substituted) & Derivatives; Halogen Toluene; Miscellaneous; Nitro Compounds; Nitrogen Compounds; Organic Building Blocks; Fluorinated benzene series. Its EINECS registry number is 207-161-8. In addition, the formula is C7H6FNO2 and the molecular weight is 155.13. This chemical is a colorless to light yellow liquid and should be stored in sealed containers in cool, dry place and away from oxidizing agents.

Physical properties about 2-Nitro-4-fluorotoluene are: (1)ACD/LogP: 2.36; (2)ACD/LogD (pH 5.5): 2.36; (3)ACD/LogD (pH 7.4): 2.36; (4)ACD/BCF (pH 5.5): 36.61; (5)ACD/BCF (pH 7.4): 36.61; (6)ACD/KOC (pH 5.5): 458.02; (7)ACD/KOC (pH 7.4): 458.02; (8)#H bond acceptors: 3; (9)Index of Refraction: 1.53; (10)Molar Refractivity: 37.61 cm3; (11)Molar Volume: 121.7 cm3; (12)Surface Tension: 40.6 dyne/cm; (13)Density: 1.274 g/cm3; (14)Flash Point: 98.9 °C; (15)Enthalpy of Vaporization: 43.22 kJ/mol; (16)Boiling Point: 214.3 °C at 760 mmHg; (17)Vapour Pressure: 0.23 mmHg at 25 °C.

Preparation of 2-Nitro-4-fluorotoluene: it is prepared by reaction of C7H6N3O2(1+)*F6P(1-). The reaction needs reagent BF3*Et2O at the temperature of 120-125 °C. The yield is about 69%.

2-Nitro-4-fluorotoluene is prepared by reaction of C7H6N3O2(1+)*F6P(1-).

Uses of 2-Nitro-4-fluorotoluene: it is used to produce 5-fluoro-2-methyl-aniline. The reaction occurs with reagents Me3SiSNa, 1,3-dimethyl-2-imidazolidinone at the temperature of 185 °C for 24 hours. The yield is about 98%.

2-Nitro-4-fluorotoluene is used to produce 5-fluoro-2-methyl-aniline.

When you are using this chemical, please be cautious about it. As a chemical, it is irritating to eyes, respiratory system and skin. Besides, it is harmful if swallowed. During using it, wear suitable gloves. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. If accident happens or you feel unwell seek medical advice immediately.

You can still convert the following datas into molecular structure:
1. Canonical SMILES: CC1=C(C=C(C=C1)F)[N+](=O)[O-]
2. InChI: InChI=1S/C7H6FNO2/c1-5-2-3-6(8)4-7(5)9(10)11/h2-4H,1H3
3. InChIKey: SKWTUNAAJNDEIK-UHFFFAOYSA-N

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