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CAS No.: | 6373-73-5 |
---|---|
Name: | DISPERSE YELLOW 9 |
Article Data: | 9 |
Molecular Structure: | |
Formula: | C12H10N4O4 |
Molecular Weight: | 274.236 |
Synonyms: | 2,4-Dinitro-4'-aminodiphenylamine;Supracet Yellow 5RD; |
EINECS: | 228-919-4 |
Density: | 1.511 g/cm3 |
Melting Point: | 187-190 ºC |
Boiling Point: | 466 °C at 760 mmHg |
Flash Point: | 235.7 °C |
Solubility: | 1.645mg/L(25 oC) |
PSA: | 129.69000 |
LogP: | 4.52940 |
The 1,4-Benzenediamine,N1-(2,4-dinitrophenyl)-, with the CAS registry number 6373-73-5, is also known as 2,4-Dinitro-4'-aminodiphenylamine. Its EINECS registry number is 228-919-4. This chemical's molecular formula is C12H10N4O4 and molecular weight is 274.2322. What's more, its IUPAC name is 4-N-(2,4-Dinitrophenyl)benzene-1,4-diamine.
Physical properties about this chemical are: (1)ACD/LogP: 2.43; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.4; (4)ACD/LogD (pH 7.4): 2.43; (5)ACD/BCF (pH 5.5): 39; (6)ACD/BCF (pH 7.4): 41.02; (7)ACD/KOC (pH 5.5): 472.22; (8)ACD/KOC (pH 7.4): 496.69; (9)#H bond acceptors: 8; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 98.12 Å2; (13)Index of Refraction: 1.737; (14)Molar Refractivity: 72.95 cm3; (15)Molar Volume: 181.4 cm3; (16)Polarizability: 28.92×10-24 cm3; (17)Surface Tension: 76.9 dyne/cm; (18)Density: 1.511 g/cm3; (19)Flash Point: 235.7 °C; (20)Enthalpy of Vaporization: 72.78 kJ/mol; (21)Boiling Point: 466 °C at 760 mmHg; (22)Vapour Pressure: 7.31E-09 mmHg at 25 °C.
Use of 1,4-Benzenediamine,N1-(2,4-dinitrophenyl)-: it is used to produce other chemicals. For example, it is used to produce N-[4-(2,4-Dinitro-phenylamino)-phenyl]-benzenesulfonamide. The reaction occurs with reagent Pyridine. It will need 24 hours and the yield is 63%.
You can still convert the following datas into molecular structure:
(1) SMILES: [O-][N+](=O)c2ccc(Nc1ccc(N)cc1)c(c2)[N+]([O-])=O
(2) InChI: InChI=1/C12H10N4O4/c13-8-1-3-9(4-2-8)14-11-6-5-10(15(17)18)7-12(11)16(19)20/h1-7,14H,13H2
(3) InChIKey: JMDHCJDATBJFJS-UHFFFAOYAX