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| CAS No.: | 517920-73-9 |
|---|---|
| Name: | 2-FLUORO-4-IODO-6-NITROANILINE |
| Molecular Structure: | |
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|
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| Formula: | C6H4FIN2O2 |
| Molecular Weight: | 282.01 |
| Synonyms: | 2-fluoro-4-iodo-6-nitroaniline;benzenamine, 2-fluoro-4-iodo-6-nitro-; |
| Density: | 2.172 g/cm3 |
| Boiling Point: | 333.2 °C at 760 mmHg |
| Flash Point: | 155.3 °C |
| Appearance: | yellow crystal powder |
| Hazard Symbols: |
 Xi
|
| PSA: | 71.84000 |
| LogP: | 3.02510 |
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Specification
The 2-Fluoro-4-iodo-6-nitrobenzenamine, with the CAS registry number 517920-73-9, has the systematic name of2-fluoro-4-iodo-6-nitroaniline. It is a kind of yellow crystal powder, and belongs to the following product categories: Phenyls & Phenyl-Het; Amines; Phenyls & Phenyl-Het. And the molecular formula of the chemical is C6H4FIN2O2.
The characteristics of 2-Fluoro-4-iodo-6-nitrobenzenamine are as followings: (1)ACD/LogP: 3.43; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.43; (4)ACD/LogD (pH 7.4): 3.43; (5)ACD/BCF (pH 5.5): 239.91; (6)ACD/BCF (pH 7.4): 239.91; (7)ACD/KOC (pH 5.5): 1758.93; (8)ACD/KOC (pH 7.4): 1758.93; (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: 1.695; (14)Molar Refractivity: 49.93 cm3; (15)Molar Volume: 129.8 cm3; (16)Polarizability: 19.79×10-24cm3; (17)Surface Tension: 66.8 dyne/cm; (18)Density: 2.172 g/cm3; (19)Flash Point: 155.3 °C; (20)Enthalpy of Vaporization: 57.61 kJ/mol; (21)Boiling Point: 333.2 °C at 760 mmHg; (22)Vapour Pressure: 0.000139 mmHg at 25°C.
Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: Ic1cc([N+]([O-])=O)c(N)c(F)c1
(2)InChI: InChI=1/C6H4FIN2O2/c7-4-1-3(8)2-5(6(4)9)10(11)12/h1-2H,9H2
(3)InChIKey: YXIIZLLZNKTXHB-UHFFFAOYAT