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CAS No.: | 99-57-0 |
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Name: | 2-Amino-4-nitrophenol |
Article Data: | 57 |
Molecular Structure: | |
Formula: | C6H6N2O3 |
Molecular Weight: | 156.141 |
Synonyms: | Phenol, 2-amino-4-nitro-;3-Amino-4-hydroxynitrobenzene;1-Hydroxy-2-amino-4-nitrobenzene;1-Amino-2-hydroxy-5-nitrobenzene;1-Nitro-3-amino-4-hydroxybenzene;2-Hydroxy-5-nitroaniline;2-Amino-4-nitro-phenolate;2-Amino-4-nitrophenol;2-Hydroxy-5-nitroaniline; 3-Amino-4-hydroxynitrobenzene;p-nitro-o-aminophenol; |
EINECS: | 202-767-9 |
Density: | 1.511 g/cm3 |
Melting Point: | 140-143 °C(lit.) |
Boiling Point: | 368.1 °C at 760 mmHg |
Flash Point: | 176.4 °C |
Solubility: | slightly soluble in water |
Appearance: | ochre crystalline powder |
Hazard Symbols: | Xi,Xn |
Risk Codes: | 36/37/38-68-43-40-20/21/22 |
Safety: | 26-45-36/37/39-36 |
PSA: | 92.07000 |
LogP: | 1.98700 |
Conditions | Yield |
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With hydrazine hydrate at 90℃; for 18h; | 98% |
With hydrazine hydrate In water at 110℃; Sealed tube; Green chemistry; | 95% |
With hydrazine hydrate In isopropyl alcohol at 110℃; for 0.25h; Catalytic behavior; Sealed tube; chemoselective reaction; | 94% |
Conditions | Yield |
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With 5%-palladium/activated carbon; hydrogen at 70℃; under 4500.45 Torr; for 2h; Temperature; Pressure; Time; Autoclave; | 97.1% |
C6H7BN2O4
2-hydroxy-5-nitroaniline
Conditions | Yield |
---|---|
With iron(III) oxide; oxygen In tetrahydrofuran at 20℃; Irradiation; | 95% |
Conditions | Yield |
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With nickel; hydrazine hydrate In ethanol; 1,2-dichloro-ethane at 50 - 60℃; for 4h; | A 7% B 92% |
With hydrogen; iron; acetic acid; palladium dichloride In ethanol at 20 - 25℃; under 258.6 - 2327.2 Torr; | A n/a B 79% |
With sodium hydroxide; sodium disulfide | |
With sodium sulfide; 5-hydroxynaphtho-1,4-quinone; water In methanol; phosphate buffer for 12h; pH=2.5; Reduction; |
Conditions | Yield |
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With nickel ammonium sulfate; nitric acid In chloroform; water at 20℃; for 3h; | 92% |
Multi-step reaction with 2 steps 2: HNO3+H2SO4 / <0 / beim Kochen des Reaktionsprodukts mit Salzsaeure View Scheme | |
With sulfuric acid; nitric acid In chloroform at 8 - 12℃; Solvent; Temperature; Large scale; | 830 kg |
2-azido-4-nitrophenol
2-hydroxy-5-nitroaniline
Conditions | Yield |
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With ammonium hydroxide at 90℃; for 2.41667h; | 78% |
A
2,4-Dinitrophenol
B
2-hydroxy-5-nitroaniline
C
2-Phenyl-5,6,7,8-tetrahydro-imidazo<1,2-a>pyridin
Conditions | Yield |
---|---|
In dimethyl sulfoxide at 25℃; for 5h; Inert atmosphere; Schlenk technique; Sealed tube; Irradiation; | A 33% B 22% C 75% |
Conditions | Yield |
---|---|
With water; sodium hydroxide at 100℃; for 4h; | 65% |
Conditions | Yield |
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With sulfuric acid; aminosulfonic acid; nitric acid at 0℃; for 0.5h; | A 26% B 44% |
Conditions | Yield |
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With sodium hydroxide for 72h; Heating; | 30% |
IARC Cancer Review: Group 3 IMEMDT IARC Monographs on the Evaluation of Carcinogenic Risk of Chemicals to Man . 57 ,1993,p. 167.(World Health Organization, Internation Agency for Research on Cancer,Lyon, France.: ) (Single copies can be ordered from WHO Publications Centre U.S.A., 49 Sheridan Avenue, Albany, NY 12210) ; Animal Limited Evidence IMEMDT IARC Monographs on the Evaluation of Carcinogenic Risk of Chemicals to Man . 57 ,1993,p. 167.(World Health Organization, Internation Agency for Research on Cancer,Lyon, France.: ) (Single copies can be ordered from WHO Publications Centre U.S.A., 49 Sheridan Avenue, Albany, NY 12210) ; Human Inadequate Evidence IMEMDT IARC Monographs on the Evaluation of Carcinogenic Risk of Chemicals to Man . 57 ,1993,p. 167.(World Health Organization, Internation Agency for Research on Cancer,Lyon, France.: ) (Single copies can be ordered from WHO Publications Centre U.S.A., 49 Sheridan Avenue, Albany, NY 12210) . Reported in EPA TSCA Inventory. EPA Genetic Toxicology Program.
2-Amino-4-nitrophenol(CAS NO.99-57-0), its Synonyms are 1-Amino-2-hydroxy-5-nitrobenzene; 1-Hydroxy-2-amino-4-nitrobenzene; 1-Nitro-3-amino-4-hydroxybenzene; 2-Amino-4-nitrophenol; 2-Hydroxy-5-nitroaniline; 3-Amino-4-hydroxynitrobenzene; 4-Nitro-2-aminophenol; p-Nitro-o-aminophenol; Phenol, 2-amino-4-nitro-. It is orange prisms or yellow powder and no odor, slightly soluble in water.With the Molecular Formula of C6H6N2O3, 2-Amino-4-nitrophenol is used as dyes and pharmaceutical intermediate.
Physical properties about 2-Amino-4-nitrophenol are: (1)ACD/LogP: 1.233; (2)ACD/LogD (pH 5.5): 1.21; (3)ACD/LogD (pH 7.4): 0.53; (4)ACD/BCF (pH 5.5): 4.80; (5)ACD/BCF (pH 7.4): 1.01; (6)ACD/KOC (pH 5.5): 105.13; (7)ACD/KOC (pH 7.4): 22.13; (8)#H bond acceptors: 5; (9)#H bond donors: 3; (10)#Freely Rotating Bonds: 3; (11)Index of Refraction: 1.689; (12)Molar Refractivity: 38.916 cm3; (13)Molar Volume: 101.985 cm3; (14)Polarizability: 15.428 10-24cm3; (15)Surface Tension: 78.5390014648438 dyne/cm; (16)Density: 1.511 g/cm3; (17)Flash Point: 176.396 °C; (18)Enthalpy of Vaporization: 63.883 kJ/mol; (19)Boiling Point: 368.059 °C at 760 mmHg
When you are using 2-Amino-4-nitrophenol, please be cautious about it as the following:
1. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice;
2. In case of accident or if you feel unwell, seek medical advice immediately (show label where possible);
3. Wear suitable protective clothing, gloves and eye/face protection;
4. Wear suitable protective clothing;
You can still convert the following datas into molecular structure:
(1)InChI=1S/C6H6N2O3/c7-5-3-4(8(10)11)1-2-6(5)9/h1-3,9H,7H2;
(2)InChIKey=VLZVIIYRNMWPSN-UHFFFAOYSA-N;
(3)Smilesc1(cc(c(O)cc1)N)[N+](=O)[O-];
The toxicity data is as follows:
Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
---|---|---|---|---|---|
mouse | LD50 | intraperitoneal | 143mg/kg (143mg/kg) | Genetica Polonica. Vol. 26, Pg. 109, 1985. | |
mouse | LD50 | oral | 850mg/kg (850mg/kg) | Gigiena Truda i Professional'nye Zabolevaniya. Labor Hygiene and Occupational Diseases. Vol. 25(8), Pg. 50, 1981. | |
rat | LD50 | intraperitoneal | 246mg/kg (246mg/kg) | Journal of Toxicology and Environmental Health. Vol. 2, Pg. 657, 1977. | |
rat | LD50 | oral | 2400mg/kg (2400mg/kg) | BEHAVIORAL: ATAXIA BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) SKIN AND APPENDAGES (SKIN): HAIR: OTHER | Food and Cosmetics Toxicology. Vol. 15, Pg. 607, 1977. |