Basic information
- Name:
1,4-Benzenediamine,N4-[(4-fluorophenyl)methyl]-2-nitro-
- Superlist Name:
- 2-Amino-5-[(4-fluorobenzyl)amino]-1-nitrobenzene
- CAS No.:
150812-21-8
- Molecular Structure:
![Molecular Structure of 150812-21-8 (1,4-Benzenediamine,N4-[(4-fluorophenyl)methyl]-2-nitro-)](http://www.lookchem.com/300w/2010/0625/150812-21-8.jpg)
- Formula:
- C13H12FN3O2
- Molecular Weight:
- 261.25
- Synonyms:
- 4-N-[(4-Fluorophenyl)methyl]-2-nitrobenzene-1,4-diamine;
- Density:
- 1.39 g/cm3
- Boiling Point:
- 436.6 °C at 760 mmHg
- Flash Point:
- 217.9 °C
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Specification
The CAS registry number of 2-Amino-5-[(4-fluorobenzyl)amino]-1-nitrobenzene is 150812-21-8. In addition, the molecular formula is C13H12FN3O2 and the molecular weight is 261.25. The IUPAC name is 4-N-[(4-fluorophenyl)methyl]-2-nitrobenzene-1,4-diamine. What's more, it should be stored in sealed container, and put in a cool and dry place.
Physical properties about 2-Amino-5-[(4-fluorobenzyl)amino]-1-nitrobenzene are: (1)ACD/LogP: 2.96; (2)ACD/LogD (pH 5.5): 2.96; (3)ACD/LogD (pH 7.4): 2.96; (4)ACD/BCF (pH 5.5): 104.02; (5)ACD/BCF (pH 7.4): 104.09; (6)ACD/KOC (pH 5.5): 966.85; (7)ACD/KOC (pH 7.4): 967.55; (8)#H bond acceptors: 5; (9)#H bond donors: 3; (10)#Freely Rotating Bonds: 5; (11)Polar Surface Area: 83.87 Å2; (12)Index of Refraction: 1.681; (13)Molar Refractivity: 71.12 cm3; (14)Molar Volume: 187.9 cm3; (15)Polarizability: 28.19 ×10-24cm3; (16)Surface Tension: 61.7 dyne/cm; (17)Density: 1.39 g/cm3; (18)Flash Point: 217.9 °C; (19)Enthalpy of Vaporization: 69.31 kJ/mol; (20)Boiling Point: 436.6 °C at 760 mmHg; (21)Vapour Pressure: 7.96E-08 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O=N(=O)c1cc(ccc1N)NCc2ccc(F)cc2
(2)Std.InChI: InChI=1S/C13H12FN3O2/c14-10-3-1-9(2-4-10)8-16-11-5-6-12(15)13(7-11)17(18)19/h1-7,16H,8,15H2
(3)Std.InChIKey: XTDZJOIEYRRRGJ-UHFFFAOYSA-N
