HC Yellow 2
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HC Yellow 2
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CAS No:
4926-55-0
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Formula:
C8H10N2O3
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Chemical Name:
HC Yellow 2
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Synonyms:
Ethanol,2-[(2-nitrophenyl)amino]-;Ethanol,2-(o-nitroanilino)-;2-[(2-Nitrophenyl)amino]ethanol;N-(2-Hydroxyethyl)-o-nitroaniline;N-(2′-Hydroxyethyl)-2-nitroaniline;HC Yellow No. 2;N-(2-Hydroxyethyl)-2-nitroaniline;HC Yellow 2;o-Nitro-N-(2-hydroxyethyl)aniline;NSC 33878;NSC 68401;Covarine Yellow W 1122;Colorex HCY 2;1-(2′-Hydroxyethyl)amino-2-nitrobenzene;2-(2-Nitroanilino)ethanol;2-[(2-Nitrophenyl)amino]ethan-1-ol
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CAS No:
HC Yellow 2 Basic Attributes
182.18
182.18
225-555-8
9FVT2KMV9O
68401|33878
DTXSID0063650
2922199090
Characteristics
78.1
1.5
Orange crystal powder
1.4±0.1 g/cm3
76 °C
376.6°C at 760 mmHg
181.6±22.3 °C
1.640
Safety Information
Ⅲ
2811
6.1
Xi
Irritant
P264, P270, P280, P301+P312, P302+P352, P305+P351+P338, P321, P330, P332+P313, P337+P313, P362, P501
H302
|Warning|H302 (98.77%): Harmful if swallowed [Warning Acute toxicity, oral]|P264, P270, P273, P280, P301+P312, P302+P352, P305+P351+P338, P321, P330, P332+P313, P337+P313, P362, and P501|Aggregated GHS information provided by 82 companies from 9 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.|H302: Harmful if swallowed [Warning Acute toxicity, oral]|P264, P270, P301+P312, P330, and P501
HC Yellow 2 Use and Manufacturing
In a 1 L three-necked flask, 100 g of , o-chloronitrobenzene 450 g of n-hexane and 10 g of sodium fluoride were successively added and the temperature was raised to 80 ° C, 60 g of ethanolamine was added dropwise, and the reaction was carried out at this temperature for 20 hours. Sampling analysis, control the HPLC content of raw materials less than 3percent That is to stop the reaction. 90 ° C under reduced pressure distillation of petroleum ether, adding methanol and water for crystallization, filtration, washing, drying to get red Color crystal powder N- (2-nitrophenyl) ethanolamine 103g, HPLC purity 99.6percent2-fluoronitrobenzene (0.92 g, 6.53 mmol) and ethanolamine (1.19 g, 19.59 mmol) were dissolved in 20 mL ethanol, potassium carbonate (1.08 g, 7.83 mmol) was added and stirred under reflux for 5-6 hours, after the reaction solution was cooled, filtered, the filtrate was concentrated under reduced pressure, to obtain an orange solid, and 20 mL saturated brine was added, extracted with ethyl acetate (3×40 mL), the organic phases were combined, washed with a saturated brine, dried on anhydrous sodium sulfate, rotary evaporated, purified by silica gel column chromatography to obtain 2-nitro-N-(2-hydroxyethyl)aniline (0.98 g, yield 82.9percent).In a 1 L three-necked flask, 100 g of , o-chloronitrobenzene 450 g of n-hexane and 10 g of sodium fluoride were successively added and the temperature was raised to 80 ° C, 60 g of ethanolamine was added dropwise, and the reaction was carried out at this temperature for 20 hours. Sampling analysis, control the HPLC content of raw materials less than 3percent That is to stop the reaction. 90 ° C under reduced pressure distillation of petroleum ether, adding methanol and water for crystallization, filtration, washing, drying to get red Color crystal powder N- (2-nitrophenyl) ethanolamine 103g, HPLC purity 99.6percent2-fluoronitrobenzene (0.92 g, 6.53 mmol) and ethanolamine (1.19 g, 19.59 mmol) were dissolved in 20 mL ethanol, potassium carbonate (1.08 g, 7.83 mmol) was added and stirred under reflux for 5-6 hours, after the reaction solution was cooled, filtered, the filtrate was concentrated under reduced pressure, to obtain an orange solid, and 20 mL saturated brine was added, extracted with ethyl acetate (3×40 mL), the organic phases were combined, washed with a saturated brine, dried on anhydrous sodium sulfate, rotary evaporated, purified by silica gel column chromatography to obtain 2-nitro-N-(2-hydroxyethyl)aniline (0.98 g, yield 82.9percent).
Mainly used in the synthesis of dyes and hair dyes
Ethanol, 2-[(2-nitrophenyl)amino]-: ACTIVE
Cosmetics -> Hair dyeing
Computed Properties
Molecular Weight:182.18
XLogP3:1.5
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:3
Exact Mass:182.06914219
Monoisotopic Mass:182.06914219
Topological Polar Surface Area:78.1
Heavy Atom Count:13
Complexity:169
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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