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(2,2’-biindoline)-3,3’-dione (2,2'-Biindoline)-3,3'-dione (2E)-2-(3-Oxo-1,3-dihydro-2H-indol-2-ylidene)-1,2-dihydro-3H-indol-3-one (delta(2,2’(3h,3’h))-biindole)-3,3’-dione (delta(2,2’)-biindoline)-3,3’-dione [D2,2'-Biindoline]-3,3'-dione [Δ2,2'-Biindoline]-3,3'-dione 3H-Indol-3-one, 2-(1,3-dihydro-3-oxo-2H-indol-2-ylidene)-1,2-dihydro-, (2E)- AO201 Blue No 201 C.I. Natural Blue 1 C.I. Pigment Blue 66 d&cblueno.6 D+C Blue No. 6 d+cblueno6 D2,2'-Bipseudoindoxyl EINECS 207-586-9 indigo Blue Indigo J indigo powder indigon Indigotin indigovs MFCD00005722 PIGMENT BLUE 66 trans-indigo Vat Dark Blue VB Δ2,2'-Bipseudoindoxyl
Reported in EPA TSCA Inventory.
The Indigo with the cas number 482-89-3, is also called (2E)-2-(3-oxo-1H-indol-2-ylidene)-1H-indol-3-one named by IUPAC. And it's systemic name are(1)(delta(sup 2,2')-Biindoline)-3,3'-dione; (2)(delta2,2'-Biindoline)-3,3'-dione (8CI) ; (3)2-(1,3-Dihydro-3-oxo-2H-indazol-2-ylidene)-1,2-dihydro-3H-indol-3-one ; (4)2-(1,3-Dihydro-3-oxo-2H-indol-2-ylidene)-1,2-dihydro-3H-indol-3-one ; (5)3H-Indol-3-one, 2-(1,3-dihydro-3-oxo-2H-indol-2-ylidene)-1,2-dihydro-. It belongs to rganics product categories. Besides, it seems like dark blue powder with coppery luster. Indigo occurs in isomeric forms (cis and trans). It is Stable but incompatible with strong oxidizing agents. Water solubility is lower than other edible pigment around 25 ° c. 0.05% solution appears blue. It is soluble in glycerin, propylene glycol, slightly soluble in ethanol, insoluble in grease. It shows darkblue when encounter sulfuric acid, and appear to be blue when diluted. with sodium hydroxide in solution, it turns green and yellow green. And it is sensitive to heat and light. Indigo? is used as a dye for cotton yarn, which is mainly for the production of denim cloth for blue jeans. Small amounts are used for dying wool and silk.
Physical properties about this chemical are: (1)ACD/LogP: 3.72 ; (2)# of Rule of 5 Violations: 0 ; (3)ACD/LogD (pH 5.5): 3.72 ; (4)ACD/LogD (pH 7.4): 3.72 ; (5)ACD/BCF (pH 5.5): 395.55 ; (6)ACD/BCF (pH 7.4): 395.55 ; (7)ACD/KOC (pH 5.5): 2515.82 ; (8)ACD/KOC (pH 7.4): 2515.82 ; (9)#H bond acceptors: 4 ; (10)#H bond donors: 2 ; (11)#Freely Rotating Bonds: 0 ; (12)Polar Surface Area: 40.62?2 ; (13)Index of Refraction: 1.709 ; (14)Molar Refractivity: 72.22 cm3 ; (15)Molar Volume: 185 cm3 ; (16)Polarizability: 28.63 ×10-24cm3 ; (17)Surface Tension: 63.4 dyne/cm ; (18)Density: 1.417 g/cm3 ; (19)Flash Point: 158.2 °C ; (20)Enthalpy of Vaporization: 65.13 kJ/mol ; (21)Boiling Point: 400.4 °C at 760 mmHg ; (22)Vapour Pressure: 1.27E-06 mmHg at 25°C
Prepration of Indigo: Indigo powder sulfonation by sulfuric acid, diluted by water, neutralization with sodium carbonate, refined by salting-out. Indigo powder (100%) 210kg can be produced at the cost of every tons product. It is an synthesis edible pigment and applied to food, medicine and cosmetics.
1. N-phenylglycine is treated with a molten mixture of sodium hydroxide, potassium hydroxide, and sodamide. This highly sensitive melt produces indoxyl, which is subsequently oxidised in air to form indigo.
2. An alternative and also viable route to indigo involves heating N-(2-carboxyphenyl)glycine to 200 °C in an inert atmosphere with sodium hydroxide. Indoxyl-2-carboxylic acid is generated. This material readily decarboxylates to give indoxyl, which oxidises in air to form indigo.
When you are using this chemical, please be cautious about it as the following: It is quite irritating to eyes, respiratory system and skin. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.?Before you are using it, please wear suitable protective clothing. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.?
You can still convert the following datas into molecular structure :
(1).SMILES: O=C/4c1ccccc1NC\4=C3\C(=O)c2ccccc2N3
(2).InChI:InChI=1/C16H10N2O2/c19-15-9-5-1-3-7-11(9)17-13(15)14-16(20)10-6-2-4-8-12(10)18-14/h1-8,17-18H/b14-13+
Toxic information of Indigo can be showed as follows:
Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
---|---|---|---|---|---|
mouse | LD50 | intraperitoneal | 2200mg/kg (2200mg/kg) | ? | "Zhongliu Yanjiu" Cancer Review, Yu, R., et al., eds., Shanghai Science/Technology Publisher,Peop. Rep. China, 1994Vol. -, Pg. 173, 1994. |
mouse | LD50 | oral | > 32gm/kg (32000mg/kg) | ? | "Zhongliu Yanjiu" Cancer Review, Yu, R., et al., eds., Shanghai Science/Technology Publisher,Peop. Rep. China, 1994Vol. -, Pg. 173, 1994 |
Specific target organ toxicity \u2013 repeated exposure, Category 2
Pictogram(s) | ![]() |
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Signal word | Warning |
Hazard statement(s) | H373 May cause damage to organs through prolonged or repeated exposure |
Precautionary statement(s) | |
Prevention | P260 Do not breathe dust/fume/gas/mist/vapours/spray. |
Response | P314 Get medical advice/attention if you feel unwell. |
Storage | none |
Disposal | P501 Dispose of contents/container to ... |
none
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Literatures:
Bergman, Jan; Stlhandske, Claes Tetrahedron Letters, 1994 , vol. 35, # 29 p. 5279 - 5282 ![]() Yield: ~91% |
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SPECIFICATION
BLUE POWDER
GREENISH
180 °C min
7
3
4
40-50%
27 m 2 /g
1.60 g/cm 3
5.0% max
1.0% max
100-105 %