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| CAS No.: | 1427-07-2 |
|---|---|
| Name: | 2-Fluoro-4-nitrotoluene |
| Article Data: | 15 |
| Cas Database | |
| Molecular Structure: | |
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|
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| Formula: | C7H6FNO2 |
| Molecular Weight: | 155.129 |
| Synonyms: | Toluene, 2-fluoro-4-nitro-;Benzene, 2-fluoro-1-methyl-4-nitro-;2-Fluoro-1-methyl-4-nitro-benzene; |
| EINECS: | 215-845-2 |
| Density: | 1.274 g/cm3 |
| Melting Point: | 31-35 ºC |
| Boiling Point: | 226.2 ºC at 760 mmHg |
| Flash Point: | 73.9 ºC |
| Solubility: | Insoluble in water. Solubility in methanol gives very faint turbidity. |
| Appearance: | white to light yellow crystal powder |
| Hazard Symbols: |
 Xn, Xi
|
| Risk Codes: | 20/21/22-36/37/38 |
| Safety: | 26-36/37/39 |
| Transport Information: | UN 1325 4.1/PG 2 |
| PSA: | 45.82000 |
| LogP: | 2.56550 |
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- 142717-44-0Acetic acid,2-[4-(phenylmethoxy)phenoxy]-, ethyl ester
- 142-72-3Acetic acid, magnesiumsalt (2:1)
- 142723-69-12-Pentenoic Acid, 4-[[)1,1-Dimethylethoxy)Carbonyl]amino]-, (2E,4s)-(9CI)
- 14272-47-0Heptanoic acid,3-ethyl-
- 142733-60-66,8-Dioxaspiro[3.5]nonane-2,2-dicarboxylicacid, 7-phenyl-, 2,2-diethyl ester
- 142-73-4Glycine,N-(carboxymethyl)-
- 14273-86-0Pentanoicacid, 5-chloro-, methyl ester
- 142738-94-1Benzene,1-methoxy-3-(trifluoromethoxy)-
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Standards and Recommendations
Specification
The 2-Fluoro-4-nitrotoluene, with the CAS registry number 1427-07-2, is also known as Benzene, 2-fluoro-1-methyl-4-nitro-. It belongs to the product categories of Fluorides; 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 215-845-2. This chemical's molecular formula is C7H6FNO2 and molecular weight is 155.13. What's more, both its IUPAC name and systematic name are the same which is called 2-Fluoro-1-methyl-4-nitrobenzene.
Physical properties about 2-Fluoro-4-nitrotoluene are: (1)ACD/LogP: 2.36; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.36; (4)ACD/LogD (pH 7.4): 2.36; (5)ACD/BCF (pH 5.5): 36.61; (6)ACD/BCF (pH 7.4): 36.61; (7)ACD/KOC (pH 5.5): 458.02; (8)ACD/KOC (pH 7.4): 458.02; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 45.82 Å2; (13)Index of Refraction: 1.53; (14)Molar Refractivity: 37.61 cm3; (15)Molar Volume: 121.7 cm3; (16)Surface Tension: 40.6 dyne/cm; (17)Density: 1.274 g/cm3; (18)Flash Point: 73.9 °C; (19)Enthalpy of Vaporization: 44.39 kJ/mol; (20)Boiling Point: 226.2 °C at 760 mmHg; (21)Vapour Pressure: 0.124 mmHg at 25 °C.
Preparation of 2-Fluoro-4-nitrotoluene: this chemical can be prepared by 1-Methyl-4-nitro-benzene. This reaction needs reagents F2, HCOOH at temperature of 10 °C. The reaction time is 1.75 hours. The yield is 50 %.
Uses of 2-Fluoro-4-nitrotoluene: it is used to produce other chemicals. For example, it can produce 2-Fluoro-4-nitro-benzoic acid. The reaction occurs with reagents CrO3, H2SO4, AcOH at temperature of 20-100 °C. The yield is 52 %.
When you are dealing with this chemical, you should be very careful. This chemical is inflammation to the skin, eyes and respiratory system and it may cause damage to health by inhalation, in contacting with skin and if swallowed. Therefore, you should wear suitable protective clothing, gloves and eye/face protection. And in case of contacting with eyes, you should rinse immediately with plenty of water and seek medical advice.
You can still convert the following datas into molecular structure:
(1) SMILES: Fc1cc([N+]([O-])=O)ccc1C
(2) InChI: InChI=1S/C7H6FNO2/c1-5-2-3-6(9(10)11)4-7(5)8/h2-4H,1H3
(3) InChIKey: WIQISTBTOQNVCE-UHFFFAOYSA-N