4-nitro-2,6-dichloroaniline
N-ethyl-N-(2-cyanoethyl)aniline
2',6'-dichloro-4'-nitro-4-(N-β-cyanoethyl-N-ethyl)amino-1,1'-azobenzene
Conditions | Yield |
---|---|
With sulfuric acid; sodium acetate; acetic acid; sodium nitrite 1.) 10 deg C, 2.) 5 deg C, overnight; Yield given. Multistep reaction; | |
Stage #1: 4-nitro-2,6-dichloroaniline With naphthalene-1,5-disulfonate In ethyl acetate at 50℃; for 0.166667h; Stage #2: With tert.-butylnitrite In ethyl acetate at 25℃; for 0.333333h; Stage #3: N-ethyl-N-(2-cyanoethyl)aniline With hydrogenchloride In water at 0 - 5℃; for 0.166667h; |
The Disperse Orange 76 with the CAS number 13301-61-6 is also called propanenitrile, 3-[[4-[(E)-2-(2,6-dichloro-4-nitrophenyl)diazenyl]phenyl]ethylamino]-. The systematic name is 3-[{4-[(E)-(2,6-Dichloro-4-nitrophenyl)diazenyl]phenyl}(ethyl)amino]propanenitrile. Its molecular formula is C17H15Cl2N5O2. This chemical belongs to the following product categories: (1)Dyes and Pigments; (2)Organics.
The properties of the Disperse Orange 76 are: (1)ACD/LogP: 5.96; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 5.96; (4)ACD/LogD (pH 7.4): 5.96; (5)ACD/BCF (pH 5.5): 19971.2; (6)ACD/BCF (pH 7.4): 19972.64; (7)ACD/KOC (pH 5.5): 41668.35; (8)ACD/KOC (pH 7.4): 41671.37; (9)#H bond acceptors: 7; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 7; (12)Polar Surface Area: 97.57 Å2; (13)Index of Refraction: 1.626; (14)Molar Refractivity: 102.45 cm3; (15)Molar Volume: 289.2 cm3; (16)Polarizability: 40.61×10-24cm3; (17)Surface Tension: 52.1 dyne/cm; (18)Enthalpy of Vaporization: 89.72 kJ/mol; (19)Vapour Pressure: 1.68×10-14 mmHg at 25°C.
While using this chemical, you should be very cautious. This chemical may cause sensitization by skin contact. Therefore, you should take the following instructions. You should wear suitable protective clothing and gloves.
You can still convert the following datas into molecular structure:
(1)SMILES: Clc2cc(cc(Cl)c2/N=N/c1ccc(N(CC)CCC#N)cc1)[N+]([O-])=O
(2)InChI: InChI=1/C17H15Cl2N5O2/c1-2-23(9-3-8-20)13-6-4-12(5-7-13)21-22-17-15(18)10-14(24(25)26)11-16(17)19/h4-7,10-11H,2-3,9H2,1H3/b22-21+
(3)InChIKey: KHZRTXVUEZJYNE-QURGRASLBI
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