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| CAS No.: | 591-27-5 |
|---|---|
| Name: | 3-Aminophenol |
| Article Data: | 214 |
| Molecular Structure: | |
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|
|
| Formula: | C6H7NO |
| Molecular Weight: | 109.128 |
| Synonyms: | Phenol,m-amino- (8CI);(3-Hydroxyphenyl)amine;1-Amino-3-hydroxybenzene;3-Hydroxybenzenamine;C.I. OxidationBase 7;Fourrine 65;Fourrine EG;Nako TEG;m-Hydroxyphenylamine; |
| EINECS: | 209-711-2 |
| Density: | 1.2±0.1 g/cm3 |
| Melting Point: | 121 °C |
| Boiling Point: | 298.566 °C at 760 mmHg |
| Flash Point: | 116.4±19.8 °C |
| Solubility: | Soluble in hot water, ethanol, ethyl ether and pentanol, slightly soluble in water and benzene |
| Appearance: | White crystals or off-white flakes |
| Hazard Symbols: |
 Xn, N
|
| Risk Codes: | 20/22-51/53 |
| Safety: | 28-61 |
| Transport Information: | UN 2512 6.1/PG 3 |
| PSA: | 46.25000 |
| LogP: | 1.55560 |
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- 914458-26-7[5-(2-fluorophenyl)-1-pentyl-1H-pyrrol-3-yl]-1-naphthalenyl-Methanone
- 894852-01-87-BROMO-2,2-DIMETHYL-2H-PYRIDO[3,2-B][1,4]OXAZIN-3(4H)-ONE
| Conditions | Yield |
|---|---|
| With hydrogen In ethanol at 60℃; under 7500.75 Torr; for 2h; | 100% |
| With palladium on activated charcoal; hydrogen In methanol at 20℃; for 12h; | 100% |
| With sodium tetrahydroborate In methanol; water at 20℃; for 3h; | 100% |
- 147985-36-2
m-tetrahydropyran-2-yloxyaminobenzene
- 591-27-5
m-Hydroxyaniline
| Conditions | Yield |
|---|---|
| With β‐cyclodextrin In water at 60℃; for 0.133333h; Microwave irradiation; | 99% |
| With ytterbium(III) chloride In neat (no solvent) at 70 - 120℃; for 0.0333333h; Microwave irradiation; Green chemistry; | 95% |
| Conditions | Yield |
|---|---|
| With pyrrolidine; hydrogen; 5% rhodium-on-charcoal; iron(II) acetate In tetrahydrofuran at 20℃; for 2.5h; | A 98% B 0.5% |
| With hydrogen; 5% rhodium-on-charcoal; nickel(II) nitrate In tetrahydrofuran; water at 20℃; for 15h; | A 92% B 2% |
| With hydrogen; 5% rhodium-on-charcoal; iron(II) acetate In tetrahydrofuran at 20℃; for 33h; | A 92% B 0.8% |
- 96649-05-7
3-(methoxymethoxy)aniline
- 591-27-5
m-Hydroxyaniline
| Conditions | Yield |
|---|---|
| With β‐cyclodextrin In water at 60℃; for 0.15h; Microwave irradiation; | 98% |
| With ytterbium(III) chloride In neat (no solvent) at 70 - 120℃; for 0.0333333h; Microwave irradiation; Green chemistry; | 93% |
- 51642-25-2
3-azidophenol
- 591-27-5
m-Hydroxyaniline
| Conditions | Yield |
|---|---|
| With ammonium hydroxide at 90℃; for 1h; | 97% |
| With aluminium(III) iodide In benzene for 0.25h; Reduction; Heating; | 92% |
| With triphenylphosphine-2-carboxamide In tetrahydrofuran; water at 20℃; for 2h; Staudinger Azide Reduction; | 90% |
- 100367-37-1
3-amino-4-bromophenol
- 591-27-5
m-Hydroxyaniline
| Conditions | Yield |
|---|---|
| With sodium sulfite In water at 60℃; for 18h; Green chemistry; | 96% |
- 19962-06-2
tert-butyl 3-hydroxyphenylcarbamate
- 591-27-5
m-Hydroxyaniline
| Conditions | Yield |
|---|---|
| With water at 100℃; for 1h; | 95% |
| Conditions | Yield |
|---|---|
| With [Cu2(2,7-bis(pyridin-2-yl)-l,8-naphthyridine)(OH)(CF3COO)3]; tetrabutylammomium bromide; ammonia; caesium carbonate In water at 110 - 120℃; for 16h; Sealed tube; | 95% |
| Conditions | Yield |
|---|---|
| With sulfuric acid; sodium nitrite at 10 - 90℃; | 92.8% |
| Diazotization.ueber mehrere Stufen; |
- 121942-75-4
3-[(tert-butyldimethylsilyl)oxy]aniline
- 591-27-5
m-Hydroxyaniline
| Conditions | Yield |
|---|---|
| With sodium phosphate dodecahydrate In N,N-dimethyl-formamide at 20℃; for 2h; | 92% |
| With potassium hydroxide In ethanol at 20℃; for 2h; | 91% |
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- Total:36 Page 1 of 1 1
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Specification
3-Aminophenol is an organic compound with the formula C6H7NO, and its systematic name is the same with the product name. With the CAS registry number 591-27-5, it is also named as 3-Amino-1-hydroxybenzene. It belongs to the product categories of Aromatic Phenols; Anilines, Aromatic Amines and Nitro Compounds; Organics; Phenoles and thiophenoles; API intermediates; Organic Chemicals; Organic Building Blocks; Oxygen Compounds; Phenols; AM to AQ Chemical Class; Alpha sort; Amines; Aromatics; Pesticides & Metabolites. Its EINECS number is 209-711-2. In addition, the molecular weight is 109.13. Its classification codes are: (1)Mutation data; (2)Reproductive Effect; (3)Skin / Eye Irritant. This product should be sealed and kept in dark place. Moreover, it should be protected from heat and moisture. It is an aromatic amine and aromatic alcohol. It is an isomer of 2-aminophenol and 4-aminophenol. This chemical is used in organic synthesis. It is an intermediate of dyes and p-aminosalicylic acid. It is also used in the production of antioxidants, stabilizer, developers and color film.
Physical properties of 3-Aminophenol are: (1)ACD/LogP: 0.34±0.21; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.32; (4)ACD/LogD (pH 7.4): 0.34; (5)ACD/BCF (pH 5.5): 1.01; (6)ACD/BCF (pH 7.4): 1.06; (7)ACD/KOC (pH 5.5): 34.64; (8)ACD/KOC (pH 7.4): 36.34; (9)#H bond acceptors: 2; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 46.25 Å2; (13)Index of Refraction: 1.637; (14)Molar Refractivity: 32.4±0.3 cm3; (15)Molar Volume: 90.1±3.0 cm3; (16)Polarizability: 12.8±0.5×10-24cm3; (17)Surface Tension: 57.4±3.0 dyne/cm; (18)Density: 1.2±0.1 g/cm3; (19)Flash Point: 116.4±19.8 °C; (20)Enthalpy of Vaporization: 56.0±3.0 kJ/mol; (21)Boiling Point: 298.566 °C at 760 mmHg; (22)Vapour Pressure: 0.0±0.6 mmHg at 25°C.
Preparation: this chemical can be prepared by 3-nitro-phenol at the ambient temperature. This reaction will need reagent NaBH4-SbCl3 and solvent ethanol with the reaction time of 10 min. The yield is about 93%.
Uses of 3-Aminophenol: it can be used to produce 3-Methylamino-phenol at the temperature of 100 °C. This reaction will need reagent potassium carbonate and solvent dimethylformamide with the reaction time of 2 hours. The yield is about 65%.
When you are using this chemical, please be cautious about it as the following:
This chemical is harmful by inhalation and if swallowed. It is toxic to aquatic organisms as it may cause long-term adverse effects in the aquatic environment. After contact with skin, you should wash immediately with plenty of ... (to be specified by the manufacturer). You must avoid releasing it to the environment, and you need to refer to special instructions/safety data sheet.
You can still convert the following datas into molecular structure:
(1)SMILES: c1cc(cc(c1)O)N
(2)Std. InChI: InChI=1S/C6H7NO/c7-5-2-1-3-6(8)4-5/h1-4,8H,7H2
(3)Std. InChIKey: CWLKGDAVCFYWJK-UHFFFAOYSA-N
The toxicity data is as follows:
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| bird - wild | LD50 | oral | 237mg/kg (237mg/kg) | Archives of Environmental Contamination and Toxicology. Vol. 12, Pg. 355, 1983. | |
| mammal (species unspecified) | LD50 | unreported | 1245mg/kg (1245mg/kg) | Gigiena i Sanitariya. For English translation, see HYSAAV. Vol. 48(9), Pg. 19, 1983. | |
| mouse | LD50 | intraperitoneal | 150mg/kg (150mg/kg) | National Technical Information Service. Vol. AD691-490, | |
| mouse | LD50 | oral | 401mg/kg (401mg/kg) | BEHAVIORAL: EXCITEMENT PERIPHERAL NERVE AND SENSATION: SPASTIC PARALYSIS WITH OR WITHOUT SENSORY CHANGE LUNGS, THORAX, OR RESPIRATION: OTHER CHANGES | Gigiena Truda i Professional'nye Zabolevaniya. Labor Hygiene and Occupational Diseases. Vol. 32(1), Pg. 49, 1988. |
| mouse | LD50 | unreported | 225mg/kg (225mg/kg) | Gigiena i Sanitariya. For English translation, see HYSAAV. Vol. 50(3), Pg. 4, 1985. | |
| quail | LD50 | oral | 750mg/kg (750mg/kg) | Archives of Environmental Contamination and Toxicology. Vol. 12, Pg. 355, 1983. | |
| rat | LC50 | inhalation | 1162mg/m3 (1162mg/m3) | BEHAVIORAL: EXCITEMENT PERIPHERAL NERVE AND SENSATION: SPASTIC PARALYSIS WITH OR WITHOUT SENSORY CHANGE LUNGS, THORAX, OR RESPIRATION: OTHER CHANGES | Gigiena Truda i Professional'nye Zabolevaniya. Labor Hygiene and Occupational Diseases. Vol. 32(1), Pg. 49, 1988. |
| rat | LD50 | oral | 924mg/kg (924mg/kg) | LUNGS, THORAX, OR RESPIRATION: OTHER CHANGES PERIPHERAL NERVE AND SENSATION: SPASTIC PARALYSIS WITH OR WITHOUT SENSORY CHANGE BEHAVIORAL: EXCITEMENT | Gigiena Truda i Professional'nye Zabolevaniya. Labor Hygiene and Occupational Diseases. Vol. 32(1), Pg. 49, 1988. |
| rat | LD50 | unreported | 1125mg/kg (1125mg/kg) | Gigiena i Sanitariya. For English translation, see HYSAAV. Vol. 50(3), Pg. 4, 1985. | |
| rat | LDLo | intraperitoneal | 1gm/kg (1000mg/kg) | Archives Internationales de Pharmacodynamie et de Therapie. Vol. 131, Pg. 151, 1961. |