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| CAS No.: | 123-30-8 |
|---|---|
| Name: | 4-Aminophenol |
| Molecular Structure: | |
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|
|
| Formula: | C6H7NO |
| Molecular Weight: | 109.128 |
| Synonyms: | Phenol,p-amino- (8CI);1-Amino-4-hydroxybenzene;4-Amino-1-hydroxybenzene;4-Hydroxy-1-aminobenzene;4-Hydroxyaniline;4-Hydroxybenzenamine;4-Hydroxyphenylamine;Activol;Azol;BASF Ursol P Base;Benzofur P;C.I. 76550;C.I. Oxidation Base 6;Certinal;Citol;Durafur Brown RB;Fouramine P;Fourrine84;Fourrine P Base;Furro P base;NSC 1545;Nako Brown R;Paranol;PelagolGrey P Base;Pelagol P Base;Renal AC;Rodinal;Tertral P Base;Unal;Ursol P;Ursol P Base;Zoba Brown P Base;p-Aminophenol;p-Hydroxyaniline;p-Hydroxyphenylamine;p-Amino phenol;4-Aminophenol, para amino phenol;4-Aminophenol; |
| EINECS: | 204-616-2 |
| Density: | 1.21 g/cm3 |
| Melting Point: | 188 °C |
| Boiling Point: | 281.984 °C at 760 mmHg |
| Flash Point: | 124.34 °C |
| Solubility: | Water: 1.5 g/100 mL (20 °C) |
| Appearance: | Off white granular powder |
| Hazard Symbols: |
 Xn, N
|
| Risk Codes: | 20/22-50/53-68-40 |
| Safety: | 28-36/37-60-61-28A |
| Transport Information: | UN 2512 6.1/PG 3 |
| PSA: | 46.25000 |
| LogP: | 1.55560 |
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| Conditions | Yield |
|---|---|
| With copper(I) chloride; potassium borohydride In methanol for 0.166667h; Ambient temperature; | 100% |
| With palladium diacetate; carbon monoxide; triphenylphosphine In water; acetic acid at 56℃; under 532 Torr; for 14h; | 100% |
| With hydrazine hydrate In ethanol at 80℃; | 100% |
| Conditions | Yield |
|---|---|
| With dihydrogen peroxide In water at 20℃; for 1.66667h; Reagent/catalyst; UV-irradiation; Green chemistry; regioselective reaction; | 100% |
| With dihydrogen peroxide; polymer 1-A In methanol for 0.05h; Ambient temperature; | 4.9% |
| With dihydrogen peroxide; polymer 1-A In methanol for 0.05h; Product distribution; Kinetics; Ambient temperature; various catalysts were used; | 4.9% |
| Conditions | Yield |
|---|---|
| With ammonium bromide; ethylenediamine at 70℃; for 5h; Reagent/catalyst; Temperature; Microwave irradiation; | 100% |
| With ammonium bromide; ethylenediamine at 70℃; for 5h; Microwave irradiation; Inert atmosphere; neat (no solvent); | 99% |
| With ammonium iodide; hydrazine hydrate at 50℃; for 12h; Inert atmosphere; Sealed tube; | 97% |
- 54840-09-4
carbamate de methyle et de N(hydroxy-4 phenyle)
- 123-30-8
4-amino-phenol
| Conditions | Yield |
|---|---|
| With 3-azapentane-1,5-diamine at 130℃; for 12h; Sealed tube; | 99% |
- 24541-43-3
4-azidophenol
- 123-30-8
4-amino-phenol
| Conditions | Yield |
|---|---|
| With hydrazine hydrate In ethanol at 20℃; chemoselective reaction; | 98% |
| With aluminium(III) iodide In benzene for 0.166667h; Reduction; Heating; | 93% |
| With gallium(III) triflate; potassium iodide In acetonitrile at 60℃; for 1h; Inert atmosphere; Green chemistry; chemoselective reaction; | 93% |
- 36309-42-9
4-(trimethylsilyloxy)aniline
- 123-30-8
4-amino-phenol
| Conditions | Yield |
|---|---|
| With methanol; 1,3-disulfonic acid imidazolium hydrogen sulfate at 20℃; for 0.0666667h; Green chemistry; | 98% |
| With nano magnetic sulfated zirconia (Fe3O4 at ZrO2/SO42-) In neat (no solvent) at 20℃; for 0.25h; Green chemistry; | 83% |
| With Kaolinitic clay; water for 0.0416667h; Irradiation; microwave; | 63% |
- 54840-15-2
4-N-tert-butoxycarbonylaminophenol
- 123-30-8
4-amino-phenol
| Conditions | Yield |
|---|---|
| With water at 100℃; for 2h; Inert atmosphere; | 97% |
| With water at 150℃; for 2h; Subcritical conditions; | 95% |
| HY-Zeolite In dichloromethane for 2h; Heating; | 92% |
| With 3-butyl-l-methyl-1H-imidazol-3-iumtrifloroacetate In 1,4-dioxane; water at 70 - 72℃; for 2h; | 82% |
| With H-β zeolite In dichloromethane for 10h; Heating; | 71% |
| Conditions | Yield |
|---|---|
| With ammonium hydroxide at 20℃; for 10h; Catalytic behavior; | 96% |
| With ammonia; triethylamine In water at 20℃; for 8h; | 95% |
| With ammonium hydroxide at 20℃; for 12h; Catalytic behavior; | 94% |
| Conditions | Yield |
|---|---|
| With zinc In methanol at 25℃; for 0.166667h; Inert atmosphere; | 96% |
| With magnesium In methanol at 25℃; for 0.2h; Inert atmosphere; | 95% |
| With sodium dithionite; water In dimethyl sulfoxide at 20℃; pH=7.4; Kinetics; phosphate buffer; | |
| With hydrogenchloride; tin(ll) chloride | |
| With sodium hydroxide; zinc |
| Conditions | Yield |
|---|---|
| With ammonium hydroxide In water at 20℃; for 9h; Green chemistry; | 95% |
| With copper(l) iodide; 2-carboxyquinoline N-oxide; potassium carbonate; ammonium hydroxide In dimethyl sulfoxide at 50℃; for 23h; Inert atmosphere; | 90% |
| With copper(I) oxide; ammonium hydroxide; potassium carbonate at 140℃; for 13h; Inert atmosphere; | 80% |
| With copper(l) iodide; ascorbic acid In ammonia at 25℃; for 18h; liquid NH3; | 57% |
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Consensus Reports
Related aminophenols 2-Aminophenol 3-Aminophenol
Related compounds Aniline Phenol
Specification
The 4-Aminophenol, with the CAS registry number 123-30-8, is also known as 4-Amino-1-hydroxybenzene; 4-Hydroxyaniline.It belongs to the product categories of Metabolites & Impurities;Building Blocks;C6 to C8;Chemical Synthesis;Organic Building Blocks;Oxygen Compounds;Phenols. This chemical's molecular formula is C6H7NO and molecular weight is 109.13. Its EINECS number is 204-616-2. What's more,Its systematic name is 4-Aminophenol. 4-Aminophenol may discolor on exposure to air and light.. It is not compatible with strong oxidizing agents, acids, bases, acid chlorides, acid anhydrides, chloroformates, and you must not take it with incompatible materials, light, exposure to a. And also prevent it to broken down into hazardous decomposition products: Nitrogen oxides, carbon monoxide, carbon dioxide.
Physical properties about 4-Aminophenol are: (1)ACD/LogP: 0.013; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.20; (4)ACD/LogD (pH 7.4): 0.01; (5)ACD/BCF (pH 5.5): 1.00; (6)ACD/BCF (pH 7.4): 1.00; (7)ACD/KOC (pH 5.5): 14.99; (8)ACD/KOC (pH 7.4): 23.99; (9)#H bond acceptors: 2; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 2; (12)Index of Refraction: 1.637; (13)Molar Refractivity: 32.371 cm3; (14)Molar Volume: 90.144 cm3; (15)Polarizability: 12.833 10-24cm3 ; (16)Surface Tension: 57.4010009765625 dyne/cm; (17)Density: 1.211 g/cm3; (18)Flash Point: 124.34 °C; (19)Enthalpy of Vaporization: 54.173 kJ/mol; (20)Boiling Point: 281.984 °C at 760 mmHg; (21)Vapour Pressure: 0.0020000000949949 mmHg at 25°C.
The 4-Aminophenol is Limited evidence of a carcinogenic effect ,harmful by inhalation and if swallowed and Possible risk of irreversible effects.When you use it,wear suitable protective clothing and gloves.After contact with skin, wash immediately with plenty of water (to be specified by the manufacturer) .The 4-Aminophenol is very Toxic to aquatic organisms, may cause long-term adverse effects in the aquatic environment.Avoid release to the environment. Refer to special instructions safety data sheet,And this material and/or its container must be disposed of as hazardous waste.
You can still convert the following datas into molecular structure:
(1)SMILES:c1cc(ccc1N)O;
(2)Std. InChI:InChI=1S/C6H7NO/c7-5-1-3-6(8)4-2-5/h1-4,8H,7H2;
(3)Std. InChIKey:PLIKAWJENQZMHA-UHFFFAOYSA-N.
The toxicity data of 4-Aminophenol as follows:
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| bird - wild | LD50 | oral | 56200ug/kg (56.2mg/kg) | Archives of Environmental Contamination and Toxicology. Vol. 12, Pg. 355, 1983. | |
| cat | LDLo | subcutaneous | 37mg/kg (37mg/kg) | Archiv fuer Experimentelle Pathologie und Pharmakologie. Vol. 72, Pg. 241, 1913. | |
| cat | LDLo | subcutaneous | 37mg/kg (37mg/kg) | BLOOD: METHEMOGLOBINEMIA-CARBOXYHEMOGLOBIN LUNGS, THORAX, OR RESPIRATION: CYANOSIS | Archiv fuer Experimentelle Pathologie und Pharmakologie. Vol. 72, Pg. 241, 1913. |
| guinea pig | LDLo | subcutaneous | 1500mg/kg (1500mg/kg) | Archiv fuer Experimentelle Pathologie und Pharmakologie. Vol. 35, Pg. 401, 1895. | |
| mammal (species unspecified) | LD50 | oral | 1530mg/kg (1530mg/kg) | Gigiena i Sanitariya. For English translation, see HYSAAV. Vol. 45(10), Pg. 16, 1980. | |
| mammal (species unspecified) | LD50 | skin | 6400mg/kg (6400mg/kg) | Gigiena i Sanitariya. For English translation, see HYSAAV. Vol. 45(10), Pg. 16, 1980. | |
| mammal (species unspecified) | LD50 | unreported | 563mg/kg (563mg/kg) | Gigiena i Sanitariya. For English translation, see HYSAAV. Vol. 48(9), Pg. 19, 1983. | |
| mouse | LD50 | unreported | 750mg/kg (750mg/kg) | Gigiena i Sanitariya. For English translation, see HYSAAV. Vol. 50(3), Pg. 4, 1985. | |
| mouse | LDLo | intraperitoneal | 100mg/kg (100mg/kg) | Revue Belge de Pathologie et de Medecine Experimentale. Vol. 22, Pg. 1, 1952. | |
| mouse | LDLo | subcutaneous | 470mg/kg (470mg/kg) | Naunyn-Schmiedeberg's Archiv fuer Experimentelle Pathologie und Pharmakologie. Vol. 188, Pg. 130, 1938. | |
| rabbit | LD50 | oral | 10gm/kg (10000mg/kg) | Nippon Yakurigaku Zasshi. Japanese Journal of Pharmacology. Vol. 52, Pg. 215, 1956. | |
| rabbit | LD50 | skin | > 10gm/kg (10000mg/kg) | BIOFAX Industrial Bio-Test Laboratories, Inc., Data Sheets. Vol. 29-4/1973, | |
| rat | LC50 | inhalation | > 5mg/m3/1H (5mg/m3) | BIOFAX Industrial Bio-Test Laboratories, Inc., Data Sheets. Vol. 29-4/1973, | |
| rat | LD50 | intraperitoneal | 465mg/kg (465mg/kg) | BLOOD: METHEMOGLOBINEMIA-CARBOXYHEMOGLOBIN | Journal of Pharmacology and Experimental Therapeutics. Vol. 80, Pg. 31, 1944. |
| rat | LD50 | oral | 375mg/kg (375mg/kg) | BIOFAX Industrial Bio-Test Laboratories, Inc., Data Sheets. Vol. 29-4/1973, | |
| rat | LD50 | oral | 375mg/kg (375mg/kg) | LUNGS, THORAX, OR RESPIRATION: CYANOSIS BEHAVIORAL: MUSCLE WEAKNESS | BIOFAX Industrial Bio-Test Laboratories, Inc., Data Sheets. Vol. 29-4/1973, |
| rat | LD50 | unreported | 675mg/kg (675mg/kg) | Gigiena i Sanitariya. For English translation, see HYSAAV. Vol. 50(3), Pg. 4, 1985. |