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| CAS No.: | 730-40-5 |
|---|---|
| Name: | DISPERSE ORANGE 3 |
| Molecular Structure: | |
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| Formula: | C12H10N4O2 |
| Molecular Weight: | 242.237 |
| Synonyms: | Benzenamine,4-[(4-nitrophenyl)azo]- (9CI);C.I. Disperse Orange 3 (6CI,7CI,8CI);4-(4-Nitrophenylazo)aniline;4-Amino-4'-nitroazobenzene;4-Nitro-4'-aminoazobenzene;4-[(4-Nitrophenyl)azo]benzenamine;4'-Nitro-4-aminoazobenzene;Acetamine Orange GR;Acetate Fast Orange G;AcetateFast Orange GR;Acetoquinone Light Orange JRL;Altocyl Orange GR;Amacel OrangeGR;Artisil Direct Orange 2R;Artisil Orange 2R;Atlantic Disperse Orange GRA;C.I. 11005;C.I. Solvent Orange 9;Celliton Discharge Orange GRL;Celliton FastOrange GR;Celliton Orange GR;Celliton Orange GRA;Celutate Orange GRH;Cibacet Orange 2R;Cibacete Orange 2RN;Cilla Fast Orange GR;Diacelliton FastOrange GL;Disperse Orange 3;Disperse Orange GR;Disperse Orange Zh;DispersolFast Orange G;Dispersol Orange AG;Durgacet Orange GR;Eastman Orange GRN;Eastone Orange 2R;Eniacyl Orange GR;Fenacet Orange G;Interchem AcetateOrange GL;Kayalon Fast Orange GR;Microsetile Orange GR;Miketon Fast OrangeGR;Nacelan Orange GR;Neosetile Orange GR;Nyloquinone Orange 2R;OracetOrange 2R;Ostacet Orange P 2R;Perliton Orange 6R;Reliton Orange GR;SerilicOrange GXD;Setacyl Orange GR;Setacyl Orange RE;Silotras Orange TSGR;Supracet Fast Orange G;Synten Orange 2R;Transetile Orange P-GR;VonterylOrange GS;p-(p-Nitrophenylazo)aniline;p-Nitro-p'-aminoazobenzene; |
| EINECS: | 311-984-8 |
| Density: | 1.34 g/cm3 |
| Melting Point: | ~200 °C (dec.)(lit.) |
| Boiling Point: | 460.2 °C at 760 mmHg |
| Flash Point: | 232.1 °C |
| Solubility: | 290.7ug/L(25 oC) |
| Appearance: | red to dark brown powder |
| Hazard Symbols: |
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| Risk Codes: | 36/37/38-43 |
| Safety: | 26-36/37 |
| PSA: | 96.56000 |
| LogP: | 4.69680 |
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Specification
The IUPAC name of Disperse orange 3 is 4-[(4-nitrophenyl)diazenyl]aniline. With the CAS registry number 730-40-5, it is also named as 4-((4-Nitrophenyl)azo)benzenamine; Benzenamine, 4-((4-nitrophenyl)azo)-; CI 11005; 4-[(E)-(4-Nitrophenyl)diazenyl]aniline; Acetamine Orange GR; Acetoquinone Light Orange JRL. The product's categories are dyes and pigments.
The Disperse orange 3 is red to dark brown powder which is soluble in ethanol, acetone, toluene and fibrinolytic factors. It is not only used for dyeing of polyester and acetate fiber, but also used for dyeing of trifluoroacetic acid fiber, acrylic nylon 66 °C and acrylic fibers. It is also used for coloring plastics.
The Disperse orange 3 is irritating to eyes, respiratory system and skin. And it may cause sensitization by skin contact. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. If you want to contact this product, you must wear suitable protective clothing and gloves.
This chemical can be obtained by the following method. After diazotization of the p-nitroaniline, coupling with inter-sulfonic acid aniline, and then deal off sulfonic by sodium hydroxide, then filter, grinding, drying and commercialization deal, we can get the product.
The other characteristics of this product can be summarized as: (1)ACD/LogP: 3.79; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.79; (4)ACD/LogD (pH 7.4): 3.79; (5)ACD/BCF (pH 5.5): 445.46; (6)ACD/BCF (pH 7.4): 446.3; (7)ACD/KOC (pH 5.5): 2737.69; (8)ACD/KOC (pH 7.4): 2742.88; (9)#H bond acceptors: 6; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 4; (12)Index of Refraction: 1.658; (13)Molar Refractivity: 66.43 cm3; (14)Molar Volume: 180.3 cm3; (15)Polarizability: 26.33×10-24 cm3; (16)Surface Tension: 59.1 dyne/cm; (17)Enthalpy of Vaporization: 72.08 kJ/mol; (18)Vapour Pressure: 1.19E-08 mmHg at 25°C; (19)Rotatable Bond Count: 2; (20)Tautomer Count: 2; (21)Exact Mass: 242.080376; (22)MonoIsotopic Mass: 242.080376; (23)Topological Polar Surface Area: 96.6; (24)Heavy Atom Count: 18.
People can use the following data to convert to the molecule structure. SMILES: [O-][N+](=O)c2ccc(/N=N/c1ccc(N)cc1)cc2; InChI: InChI=1/C12H10N4O2/c13-9-1-3-10(4-2-9)14-15-11-5-7-12(8-6-11)16(17)18/h1-8H,13H2/b15-14+; InChIKey: UNBOSJFEZZJZLR-CCEZHUSRBX.