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| CAS No.: | 369-35-7 |
|---|---|
| Name: | 2-Fluoro-4-nitroaniline |
| Article Data: | 15 |
| Molecular Structure: | |
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| Formula: | C6H5FN2O2 |
| Molecular Weight: | 156.116 |
| Synonyms: | Aniline,2-fluoro-4-nitro- (6CI,8CI);(2-Fluoro-4-nitrophenyl)amine;2-Fluoro-4-nitroaniline;2-Fluoro-4-nitrobenzenamine;NSC 402982; |
| EINECS: | 206-719-8 |
| Density: | 1.448 g/cm3 |
| Melting Point: | 126-130°C |
| Boiling Point: | 317.2 °C at 760 mmHg |
| Flash Point: | 145.6 °C |
| Solubility: | Slightly soluble in water. |
| Appearance: | WHITE TO TAN POWDER, CRYSTALS OR CRYSTALLINE POWDER AND/OR CHUNKS |
| Hazard Symbols: |
 Xn;  Xi
|
| Risk Codes: | 20/21/22 |
| Safety: | 36/37 |
| PSA: | 71.84000 |
| LogP: | 2.42050 |
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Specification
The Benzenamine,2-fluoro-4-nitro-, with CAS registry number 369-35-7, belongs to the following product categories: (1)Anilines, Aromatic Amines and Nitro Compounds; (2)Amines; (3)C2 to C6; (4)Nitrogen Compounds; (5)Aniline series. It has the systematic name of 2-fluoro-4-nitroaniline. What's more, its EINECS is 206-719-8.
Physical properties of Benzenamine,2-fluoro-4-nitro-: (1)ACD/LogP: 1.63; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.63; (4)ACD/LogD (pH 7.4): 1.63; (5)ACD/BCF (pH 5.5): 10.14; (6)ACD/BCF (pH 7.4): 10.14; (7)ACD/KOC (pH 5.5): 182.75; (8)ACD/KOC (pH 7.4): 182.75; (9)#H bond acceptors: 4; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 49.06 Å2; (13)Index of Refraction: 1.603; (14)Molar Refractivity: 37.02 cm3; (15)Molar Volume: 107.7 cm3; (16)Polarizability: 14.67×10-24cm3; (17)Surface Tension: 56.7 dyne/cm; (18)Density: 1.448 g/cm3; (19)Flash Point: 145.6 °C; (20)Enthalpy of Vaporization: 55.85 kJ/mol; (21)Boiling Point: 317.2 °C at 760 mmHg; (22)Vapour Pressure: 0.000392 mmHg at 25°C.
When you are using this chemical, please be cautious about it as the following:
The Benzenamine,2-fluoro-4-nitro- is harmful by inhalation, in contact with skin and if swallowed. When use it, wear suitable protective clothing, gloves and eye/face protection.
You can still convert the following datas into molecular structure:
(1)SMILES: Fc1cc([N+]([O-])=O)ccc1N
(2)InChI: InChI=1/C6H5FN2O2/c7-5-3-4(9(10)11)1-2-6(5)8/h1-3H,8H2
(3)InChIKey: LETNCFZQCNCACQ-UHFFFAOYAZ
(4)Std. InChI: InChI=1S/C6H5FN2O2/c7-5-3-4(9(10)11)1-2-6(5)8/h1-3H,8H2
(5)Std. InChIKey: LETNCFZQCNCACQ-UHFFFAOYSA-N