2-Aminophenol

HCID 5801CAS 27598-85-2

Grundinformationen

Standard-SMILES
Nc1ccccc1O
InChIKey
CDAWCLOXVUBKRW-UHFFFAOYSA-N
Summenformel
C6H7NO
Durchschnittliche Molmasse
109,13 g/mol
Monoisotopische Masse
109,05276384

Überblick

O-aminophenol appears as off-white crystals or beige powder. (NTP, 1992)

Namen und Bezeichner

Bevorzugter Name
2-Aminophenol
IUPAC
2-aminophenol
Lokaler Name
2-Aminophenol
Englischer Name
2-Aminophenol
Summenformel
C6H7NO
Molmasse
109.13

Namen und Synonyme

2-Aminophenol95-55-6O-AMINOPHENOLo-Hydroxyaniline2-HydroxyanilinePhenol, 2-amino-2-Amino-1-hydroxybenzeneFouramine OPBenzofur GGPelagol Grey GGPelagol 3GANako Yellow 3GA
Weitere Namen anzeigen
ORTHO AMINO PHENOLOAPOrsinRodol 2G2-amino-phenoMesalaMine IMpurity CMesalazine EP IMpurity C
BASF ursol 3GAZoba 3GAPhenol, o-amino-Questiomycin Bo-Hydroxyphenylamineortho-aminophenol2-HydroxyanalineNako Yellow ga

Datenbank-Bezeichner

CAS
27598-85-2、95-55-6
PubChem CID
5801
DTXSID
DTXSID8024498
ChEMBL
CHEMBL28319
ChEBI
CHEBI:18112
UNII
23RH73DZ65
EC Number
202-431-1
Nikkaji
J3.955A

Eigenschaften

Berechnete Struktureigenschaften

XLogP
0,6
Polarare Oberfläche (TPSA)
46,3 Ų
H-Brücken-Donoren
2
H-Brücken-Akzeptoren
2
Frei drehbare Bindungen
0
Schwere Atome
8

Experimentelle und physikochemische Eigenschaften

Chemical Classes · 2 Einträge

Nitrogen Compounds -> Amino Phenols

Dye

DrugsPharmaceuticals -> Listed in ZINC15
Cosmetics · 2 Einträge

Cosmetic ingredients (o-Aminophenol) -> CIR (Cosmetic Ingredient Review)

Hair dyeing

SpringerMaterials Properties13C nuclear magnetic resonance spectrum
LogP · 3 Einträge

log Kow = 0.62

0.62

0.57

Density · 3 Einträge

1.328 (NTP, 1992) - Denser than water; will sink

1.328 g/cu cm at 25 °C

1.3 g/cm³

Physikochemische Eigenschaften

Schmelzpunkt
172 °C · 172 °C
Siedepunkt
164 °C · 164 °C (11.2515 mmHg)
Dichte
1.328 · 1.328
Dampfdruck
14 hPa · 14 hPa (153 °C)
Brechungsindex
1.5444 · 1.5444 (estimate)
Flammpunkt
168 °C · 168 °C

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 6 Einträge

Warning

H302: Harmful if swallowed [Warning Acute toxicity, oral]

P203, P261, P264, P270, P271, P280, P301+P317, P304+P340, P317, P318, P330, P405, and P501 (click each P-code to see the statement)

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P203, P261, P264, P270, P271, P280, P301+P317, P304+P340, P317, P318, P330, P405, and P501 (click each P-code to see the statement)

Gefahrenhinweise

Regulatory Information · 4 Einträge

Chemical: Phenol, 2-amino-

Chemical: Phenol, amino-

Status: Active Update: 19-02-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/19856

2-Aminophenol: Does not have an individual approval but may be used under an appropriate group standard

Other Safety InformationIMAP assessments - Phenol, 2-amino-: Human health tier II assessment
DOT LabelPoison
Fire Hazards · 2 Einträge

Excerpt from ERG Guide 152 [Substances - Toxic (Combustible)]:

Combustible. Gives off irritating or toxic fumes (or gases) in a fire.

Fire PotentialCombustible
Health HazardsSYMPTOMS: Symptoms of exposure to this compound include redness of the skin, coughing, and nausea.

Sicherheit und Schutzausrüstung

Fire Fighting · 2 Einträge

This compound is not very flammable but any fire involving this compound may produce dangerous vapors. You should evacuate the area. All firefighters should wear full-body protective clothing and use self-contained breathing apparatuses. You should extinguish any fires involving this chemical with a dry chemical, carbon dioxide, foam, or halon extinguisher. (NTP, 1992)

Use alcohol-resistant foam, carbon dioxide, water spray, powder.

First Aid Measures · 4 Einträge

Fresh air, rest. Refer for medical attention.

Rinse and then wash skin with water and soap.

First rinse with plenty of water for several minutes (remove contact lenses if easily possible), then refer for medical attention.

Rinse mouth. Give a slurry of activated charcoal in water to drink. Refer for medical attention .

First Aid · 1 Eintrag

EYES: First check the victim for contact lenses and remove if present. Flush victim's eyes with water or normal saline solution for 20 to 30 minutes while simultaneously calling a hospital or poison control center. Do not put any ointments, oils, or medication in the victim's eyes without specific instructions from a physician. IMMEDIATELY transport the victim after flushing eyes to a hospital even if no symptoms (such as redness or irritation) develop.

Safe StorageStore in an area without drain or sewer access. Well closed. Separated from oxidants and food and feedstuffs.
Fire Fighting Procedures · 2 Einträge

Use dry chemical, carbon dioxide, or alcohol foam extinguishers. Vapors are heavier than air and will collect in low areas. Vapors may travel long distances to ignition sources and flashback. Vapors in confined areas may explode when exposed to fire. Storage containers and parts of containers may rocket great distances, in many directions. If material or contaminated runoff enters waterways, notify downstream users of potentially contaminated waters. Notify local health and fire officials and pollution control agencies. From a secure, explosion-proof location, use water spray to cool exposed containers. If cooling streams are ineffective (venting sound increases in volume and pitch, tank discolors or shows any signs of deforming), withdraw immediately to a secure position ... The only respirators recommended for fire fighting are self-contained breathing apparatuses that have full facepieces and are operated in a pressure-demand or other positive-pressure mode. /Anisidines/

If material on fire or involved in fire: Extinguish fire using agent suitable for type of surrounding fire. (Material itself does not burn or burns with difficulty.) Use water in flooding quantities as fog. Use foam, dry chemical, or carbon dioxide. Keep run-off water out of sewers and water sources. /Aminophenols/

Storage ConditionsStore in tightly closed containers in a cool, well-ventilated area. Aminophenols must be stored to avoid contact with strong oxidizers (such as chlorine, bromine, and fluorine), since violent reactions occur. /Aminophenols/

Toxikologische Informationen

Treatment · 1 Eintrag

Methemoglobinemia can be treated with supplemental oxygen and methylene blue 1% solution administered intravenously slowly over five minutes followed by IV flush with normal saline. Methylene blue restores the iron in hemoglobin to its normal (reduced) oxygen-carrying state. (L1613)

Interactions · 1 Eintrag

An investigation was carried out of the effects of ortho-aminophenol (95556) (o-AP), meta-aminophenol (591275) (m-AP), para-aminophenol (123308) (p-AP) & acetaminophen (103902) (AAP) on the induction of preneoplastic lesions in the liver & kidney of male Fischer-344-rats by N-ethyl-N-hydroxyethylnitrosamine (13147256) (EHEN). The rats in this 52 wk investigation included those give 0.1% EHEN in their drinking water for 2 wk & then, beginning 1 wk later, given 0.8% of either o-AP, m-AP, p-AP or AAP in the basal diet for 49 wk; those given EHEN & thereafter only the basal diet; & those given one of the test cmpds without prior EHEN admin. Body, liver & kidney weights were determined for sacrificed rats, & liver sections were subjected to immunohistochemical exam of glutathione-S-transferase placental type (GSTP) positive foci. The numbers of GSTP positive foci in the liver were significantly decreased in rats given o-AP, m-AP, p-AP or AAP after EHEN as compared to values for rats given EHEN alone. However, lowered incidences of GSTP positive foci were observed only in rats given o-AP or AAP after EHEN. Only p-AP & AAP gave significantly higher incidences of microadenoma & adenoma in the kidney.

Health Effects2-Aminophenol may act as a skin sensitizer and cause contact dermatitis. In addition, inhalation of large amounts can cause methemoglobinemia and bronchial asthma. (T21)
Ecotoxicity Values · 5 Einträge

LD50 Coturnix coturnix japonica (Japanese Quail) oral 316 mg/kg bw endpoint: mortality

LD50 House Sparrow oral 316 mg/kg bw

LD50 Redwinged Blackbird oral > 1000 mg/kg bw

LD50 Starling oral > 1000 mg/kg bw

LC50; Species: Danio rerio (zebra danio, eggs); Conditions: freshwater, static, 26 °C, dissolved oxygen >7 mg/L; Concentration: 0.033 mg/L (0.033-0.034 mg/L) (33 ug/L (33-34 ug/L)) for 72 hr /formulated product, 99% pure/

Environmental Fate · 3 Einträge

TERRESTRIAL FATE: Based on a classification scheme(1), an estimated Koc value of 90(SRC), determined from a structure estimation method(2), indicates that 2-aminophenol is expected to have high mobility in soil(SRC). However, anilines are expected to bind strongly to humus or organic matter in soils due to the high reactivity of the aromatic amino group(3,4), suggesting that mobility may be much lower in some soils(SRC). Measured pKa values are 4.72 and 9.71(5), for the amine and hydroxy functional groups, respectively(6); 2-aminophenol is amphoteric and behaves either as a weak acid or weak base; the basic character usually predominates(5). Volatilization of 2-aminophenol from moist soil surfaces is not expected to be an important fate process(SRC) given an estimated Henry's Law constant of 2X10-10 atm-cu m/mole(SRC), using a fragment constant estimation method(7). 2-Aminophenol is not expected to volatilize from dry soil surfaces(SRC) based upon an estimated vapor pressure of 5X10-4 Hg at 25 °C(SRC), determined from a fragment constant method(8). Based on screening tests, 2-aminophenol is expected to biodegrade; when present at 100 mg/L, in a respirometry screening test using an activated sludge inoculum, 45% of the theoretical BOD was reached in 10 days(9). A rate constant of 0.279X10-2 per hour was measured for 2-aminophenol in a screening test using a non-adapted activated sludge inoculum(10). Under denitrifying conditions in sediment, 2-aminophenol was mineralized following a long lag phase at a rate of 12.9 umol/L/day(11). It was not mineralized under methanogenic conditions in a 26-week sediment grab sample study(11).

AQUATIC FATE: Based on a classification scheme(1), an estimated Koc value of 90(SRC), determined from a structure estimation method(2), indicates that 2-aminophenol is expected to adsorb to suspended solids and sediment(SRC). Volatilization from water surfaces is not expected(3) based upon an estimated Henry's Law constant of 2X10-10 atm-cu m/mole(SRC), developed using a fragment constant estimation method(4). According to a classification scheme(5), an estimated BCF of 3(SRC), from its log Kow of 0.62(6) and a regression-derived equation(2), suggests the potential for bioconcentration in aquatic organisms is low(SRC). 2-Aminophenol is not expected to undergo hydrolysis in the environment due to the lack of functional groups that hydrolyze under environmental conditions(3). Based on screening tests, 2-aminophenol is expected to biodegrade when present at 100 mg/L, in a respirometry screening test using an activated sludge inoculum, 45% of the theoretical BOD was reached in 10 days(7). A rate constant of 0.279X10-2 per hour was measured for 2-aminophenol in a screening test using a non-adapted activated sludge inoculum(8). Under denitrifying conditions in sediment, 2-aminophenol was mineralized following a long lag phase at a rate of 12.9 umol/L/day(9). It was not mineralized under methanogenic conditions in a 26-week sediment grab sample study(9).

ATMOSPHERIC FATE: According to a model of gas/particle partitioning of semivolatile organic compounds in the atmosphere(1), 2-aminophenol, which has an estimated vapor pressure of 5.0X10-4 mm Hg at 25 °C(SRC), determined from a fragment constant method(2), will exist in both the vapor and particulate phases in the ambient atmosphere. Vapor-phase 2-aminophenol is degraded in the atmosphere by reaction with photochemically-produced hydroxyl radicals(SRC); the half-life for this reaction in air is estimated to be 5 hours(SRC), calculated from its rate constant of 7.4X10-11 cu cm/molecule-sec at 25 °C(SRC) that was derived using a structure estimation method(3). Particulate-phase 2-aminophenol may be removed from the air by wet or dry deposition(SRC). 2-Aminophenol absorbs light at wavelengths 281 nm(4) and therefore is not expected to be susceptible to direct photolysis by sunlight(SRC).

Adverse EffectsMethemoglobinemia - The presence of increased methemoglobin in the blood; the compound is classified as secondary toxic effect

Sicherheitsdaten

F
8-10-23
wgk
2
tsca
TSCA listed
ridadr
UN 2512 (AMINOPHENOLS (o-, m-, p-))
hs_code
29222900
RTECS-Nr.
SJ4950000

Chemie und Industrie

Pharmakologische Informationen

Metabolism/Metabolites · 5 Einträge

Recovery in urine for 24 hr of a single oral dose of 1 g in rabbits (strain and sex not given) was 95% of the administered dose: 11% unchanged o-aminophenol, 2-4% acetamidophenol, 15% aminophenolsulfate, 52% aminophenylglucuronide, 13% acetamidophenylglucuronide.

Yields 3-aminoacetechol in rabbit; yields o-aminophenyl-beta-glucuronide in guinea pig, mouse, rabbit; yields o-aminophenylsulfate in rabbit, mouse; yields 4-aminoresorcinol probably in rabbit.

Yields 3-aminoacetechol in rabbit. Yields o-aminophenyl-beta-d-glucuronide in guinea pig, mouse, rabbit. /From table/

Yields o-aminophenyl sulfate in rabbit, mouse. Yields 4-aminoresorcinol probably in rabbit. /From table/

For more Metabolism/Metabolites (Complete) data for 2-Aminophenol (8 total), please visit the HSDB record page.

Absorption, Distribution and Excretion · 2 Einträge

Recovery in urine for 24 hr of a single oral dose of 1 g in rabbits (strain and sex not given) was 95% of the administered dose ...

The substance can be absorbed into the body by ingestion, through the skin and by inhalation of its aerosol.

Verwendung und Herstellung

Uses · 6 Einträge

CIR ingredient: o-Aminophenol

Used in dyes for furs and hair, as a developer in photography, and an intermediate for pharmaceuticals. [HSDB]

Photographic Processing [Category: Other]

Manufacture of azo and sulfur dyes ... hydrochloride used in dyeing fur, hair, leather, etc.

Dyeing furs and hair ... Manufacture of pharmaceuticals

/2-Aminophenol is/ a strong reducing agent and is employed as a photographic developer ... it also acts as a corrosion inhibitor in paints and as an anticorrosion-lubricating agent in 2-cycle engine fuels. 2-Aminophenol is a principal intermediate in the synthesis of such heterocyclic systems as oxyquinolines, phenoxazines, and benzoxazoles (which are inflammation inhibitors) ... 2-Aminophenol is specifically used for shading leather, fur, and hair from grays to yellowish brown. It has also found application in the determination and extraction of certain precious metals.

U.S. Imports · 2 Einträge

(1977) 3.01X10+7 G (PRINCPL CUSTMS DISTS)

(1979) 4.73X10+7 G (PRINCPL CUSTMS DISTS)

U.S. Production · 5 Einträge

(1977) PROBABLY GREATER THAN 2.27X10+6 GRAMS

(1979) PROBABLY GREATER THAN 2.27X10+6 GRAMS

Production figures for the aminophenols are scarce, the compounds usually being classified along with many other aniline derivatives. Most production of the technical grade materials (95% purity) occurs on-site as they are chiefly used as intermediate reactants in continuous chemical syntheses. World production of the fine chemicals (99% purity) is probably no more than a few hundred metric tons yearly... /Aminophenols/

Phenol, 2-amino- is listed as a High Production Volume (HPV) chemical (65FR81686). Chemicals listed as HPV were produced in or imported into the U.S. in >1 million pounds in 1990 and/or 1994. The HPV list is based on the 1990 Inventory Update Rule. (IUR) (40 CFR part 710 subpart B; 51FR21438).

For more U.S. Production (Complete) data for 2-Aminophenol (6 total), please visit the HSDB record page.

Methods of ManufacturingBy reduction of ortho-nitrophenol mixed with aqueous ammonia by means of stream of hydrogen sulfide.
Formulations/PreparationsGrades: technical; 99% minimum.
Household ProductsInformation on 3 consumer products that contain 2-Aminophenol in the following categories is provided:

Anwendungen

Verwenden2-Aminophenol is an isomer of 4-Aminophenol and is used as a reagent for the synthesis of heterocyclic compounds and dyes. It is also used to make dyes and pharmaceuticals.

Darstellung

synthetische2-Aminophenol is obtained by reduction of o-nitrophenol with sodium sulfide or hydrogen gas.

Anbieter50 Anbieter

国药集团化学试剂有限公司86-21-63210123 · [email protected]
北京华美互利生物化工010-56205725 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
衢州润东化工有限公司0570-8789886 18892685668 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]

Ergänzende Hinweise

DefinitionChEBI: 2-aminophenol is the aminophenol which has the single amino substituent located ortho to the phenolic -OH group. It has a role as a bacterial metabolite.

Zugehörige Reaktionen

532

Verknüpfte Notizen

Wird geladen…