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| CAS No.: | 618-61-1 |
|---|---|
| Name: | 3-METHYL-5-NITRO ANILINE |
| Molecular Structure: | |
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| Formula: | C7H8N2O2 |
| Molecular Weight: | 152.153 |
| Synonyms: | m-Toluidine,5-nitro- (8CI);3-Methyl-5-nitroaniline;3-Nitro-5-methylaniline;5-Nitro-3-aminotoluene; |
| Density: | 1.269g/cm3 |
| Melting Point: | 98 °C |
| Boiling Point: | 324.2 °C at 760 mmHg |
| Flash Point: | 149.8 °C |
| PSA: | 71.84000 |
| LogP: | 2.58980 |
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Specification
The 3-Methyl-5-nitroaniline, with CAS registry number 618-61-1, has the systematic name of 3-methyl-5-nitroaniline. Besides this, it is also called 3-Methyl-5-nitro aniline. Its molecular weight is 152.15. And the chemical formula of this chemical is C7H8N2O2.
Physical properties of 3-Methyl-5-nitroaniline: (1)ACD/LogP: 1.83; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.83; (4)ACD/LogD (pH 7.4): 1.83; (5)ACD/BCF (pH 5.5): 14.46; (6)ACD/BCF (pH 7.4): 14.48; (7)ACD/KOC (pH 5.5): 235.48; (8)ACD/KOC (pH 7.4): 235.81; (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: 1.615; (14)Molar Refractivity: 41.85 cm3; (15)Molar Volume: 119.8 cm3; (16)Polarizability: 16.59×10-24cm3; (17)Surface Tension: 54.9 dyne/cm; (18)Density: 1.269 g/cm3; (19)Flash Point: 149.8 °C; (20)Enthalpy of Vaporization: 56.62 kJ/mol; (21)Boiling Point: 324.2 °C at 760 mmHg; (22)Vapour Pressure: 0.00025 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O=[N+]([O-])c1cc(cc(N)c1)C
(2)InChI: InChI=1/C7H8N2O2/c1-5-2-6(8)4-7(3-5)9(10)11/h2-4H,8H2,1H3
(3)InChIKey: DZIJEXQVMORGQX-UHFFFAOYAU