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| CAS No.: | 261764-92-5 |
|---|---|
| Name: | 1,3-BENZENEDIAMINE, 2-CHLORO-4-NITRO- |
| Molecular Structure: | |
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| Formula: | C6H6ClN3O2 |
| Molecular Weight: | 187.58 |
| Synonyms: | 1,3-BENZENEDIAMINE, 2-CHLORO-4-NITRO-;4-CHLORO-6-NITRO-M-PHENYLENE DIAMINE;2-Chloro-4-nitro-1,3-phenylenediamine;4-Chloro-6-nitrobenzene-1,3-diaMine;2-Chloro-4-nitrobenzene-1,3-diaMine |
| Density: | 1.592 g/cm3 |
| Boiling Point: | 393.2 °C at 760 mmHg |
| Flash Point: | 191.6 °C |
| PSA: | 97.86000 |
| LogP: | 3.09820 |
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- Total:21 Page 1 of 1 1
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Specification
The 2-Chloro-4-nitro-1,3-phenylenediamine is an organic compound with the formula C6H6ClN3O2. The systematic name of this chemical is 2-chloro-5-nitrobenzene-1,4-diamine. With the CAS registry number 261764-92-5, it is also named as 1,4-benzenediamine, 2-chloro-5-nitro-.
Physical properties about 2-Chloro-4-nitro-1,3-phenylenediamine are: (1)ACD/LogP: 2.23; (2)ACD/LogD (pH 5.5): 2.23; (3)ACD/LogD (pH 7.4): 2.23; (4)ACD/BCF (pH 5.5): 28.92; (5)ACD/BCF (pH 7.4): 28.95; (6)ACD/KOC (pH 5.5): 386.71; (7)ACD/KOC (pH 7.4): 387.1; (8)#H bond acceptors: 5; (9)#H bond donors: 4; (10)#Freely Rotating Bonds: 3; (11)Polar Surface Area: 52.3 Å2; (12)Index of Refraction: 1.712; (13)Molar Refractivity: 46.16 cm3; (14)Molar Volume: 117.7 cm3; (15)Polarizability: 18.3×10-24cm3; (16)Surface Tension: 78.2 dyne/cm; (17)Density: 1.592 g/cm3; (18)Flash Point: 191.6 °C; (19)Enthalpy of Vaporization: 64.31 kJ/mol; (20)Boiling Point: 393.2 °C at 760 mmHg; (21)Vapour Pressure: 2.16E-06 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: Clc1cc(c([N+]([O-])=O)cc1N)N
(2)InChI: InChI=1/C6H6ClN3O2/c7-3-1-5(9)6(10(11)12)2-4(3)8/h1-2H,8-9H2
(3)InChIKey: VUNAQOGRLGNALG-UHFFFAOYAT
(4)Std. InChI: InChI=1S/C6H6ClN3O2/c7-3-1-5(9)6(10(11)12)2-4(3)8/h1-2H,8-9H2
(5)Std. InChIKey: VUNAQOGRLGNALG-UHFFFAOYSA-N