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2-Amino-4-chlorphenol

2-Amino-4-chlorophenol

HCID 7265
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Grundinformationen

CAS
95-85-2
Standard-SMILES
Nc1cc(Cl)ccc1O
InChIKey
SWFNPENEBHAHEB-UHFFFAOYSA-N
Summenformel
C6H6ClNO
Durchschnittliche Molmasse
143,57 g/mol
Monoisotopische Masse
143,01379149

Überblick

2-Amino-4-Chlorophenol can cause cancer according to California Labor Code.

Namen und Bezeichner

Bevorzugter Name
2-Amino-4-chlorophenol
IUPAC
2-amino-4-chlorophenol
Lokaler Name
2-Amino-4-chlorphenol
Englischer Name
2-Amino-4-chlorophenol
Summenformel
C6H6ClNO
Molmasse
143.57

Namen und Synonyme

2-Amino-4-chlorophenol95-85-25-CHLORO-2-HYDROXYANILINE4-Chloro-2-aminophenolPhenol, 2-amino-4-chloro-Fouramine PY2-Hydroxy-5-chloroanilinep-Chloro-o-aminophenolC.I. Oxidation Base 18C.I. 76525DTXSID50244732Z43LEA3DX
Weitere Namen anzeigen
Chlorzoxazone Related CoMpound Ac.i.76525fouraminepy2-AMino-4-chloc.i.oxidationbase18TIMTEC-BB SBB007588
RODOL PYNSC-247814O-AMINO-P-CHLOROPHENOLDTXCID504473aminochlorophenolRefChem:85194202-458-92-amino-4-chloro-phenol

Datenbank-Bezeichner

CAS
95-85-2
PubChem CID
7265
DTXSID
DTXSID5024473
ChEMBL
CHEMBL251389
UNII
2Z43LEA3DX
EC Number
202-458-9
Nikkaji
J31.070K

Eigenschaften

Berechnete StruktureigenschaftenWird ergänzt

XLogP
1,8
Polarare Oberfläche (TPSA)
46,3 Ų
H-Brücken-Donoren
2
H-Brücken-Akzeptoren
2
Frei drehbare Bindungen
0
Schwere Atome
9
Formalladung
0
Komplexität
99,1

Experimentelle und physikochemische Eigenschaften

Chemical ClassesNitrogen Compounds -> Amino Phenols
Cosmetics · 2 Einträge

Cosmetic ingredients (4-Chloro-2-Aminophenol) -> CIR (Cosmetic Ingredient Review)

Hair dyeing

LogP · 2 Einträge

1.24

1.81

Solubility · 2 Einträge

less than 1 mg/mL at 68 °F (NTP, 1992)

Solubility in water, g/l at 26 °C: 3 (slightly soluble)

Flash Point170 °C
Decomposition170 °C
Melting Point · 2 Einträge

284 to 286 °F (decomposes) (NTP, 1992)

140 °C

Vapor Pressure · 2 Einträge

0.00141 [mmHg]

Vapor pressure, Pa at 25 °C: 0.2

Physical Description · 3 Einträge

Sicherheit und Regulatorisches

Sicherheitsangaben dienen nur zur Orientierung und ersetzen weder das Sicherheitsdatenblatt (SDB) des Lieferanten noch geltende Vorschriften oder eine fachliche Bewertung.

GHS-Klassifizierung

GHS Classification · 6 Einträge

This chemical does not meet GHS hazard criteria for 15.5% (15 of 97) of reports.

Warning

H302 (84.5%): Harmful if swallowed [Warning Acute toxicity, oral]

P203, P261, P264, P264+P265, P270, P271, P272, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P318, P319, P321, P330, P332+P317, P333+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 97 reports by companies from 12 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Danger

Gefahrenhinweise

Regulatory Information · 5 Einträge

Chemical: Phenol, 2-amino-4-chloro-

Hazard Traits - Carcinogenicity

Status: Active Update: 23-11-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/10289

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

The New Jersey Worker and Community Right to Know Act requires public and private employers to provide information about hazardous substances at their workplaces. (N.J.S.A. 34:5A-1 et. seq.)

Other Safety InformationIMAP assessments - Phenol, 2-amino-4-chloro-: Environment tier I assessment
DOT LabelPoison
Fire Hazards · 3 Einträge

Excerpt from ERG Guide 151 [Substances - Toxic (Non-Combustible)]:

· Non-combustible, substance itself does not burn but may decompose upon heating to produce corrosive and/or toxic fumes.

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

Health Hazards

Chemie und Industrie

Verwendung und Herstellung

Uses · 2 Einträge

CIR ingredient: 4-Chloro-2-Aminophenol

Used as an intermediate; [NTP]

Use ClassificationCosmetics -> Hair dyeing
General Manufacturing InformationPhenol, 2-amino-4-chloro-: ACTIVE

Anwendungen

VerwendenIntermediate.

Vor- und nachgelagerte Produkte

Vorgelagerte Rohstoffe

Nitrobenzenechloroazobenzene4-Chlor-2-nitrophenol

Nachgelagerte Produkte

Neutral Red 2gl1-Phenyltetrazol-5-thiol(R)-5-chloro-2-(5-Methyl-1,4-diazepan-1-yl)benzo[d]oxazole3-Amino-5-chlor-2-hydroxybenzolsulfonsure3-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2(3H)-benzoxazolone2,5-DichlorobenzooxazoleAcid Black 181

Zugehörige Reaktionen

103
Reaktionsaufzeichnung erstellen
Reaktionsgleichung von HRID 7772
HRID 7772als Eduktuspto-grants-2006_08
Reaktionsgleichung von HRID 29857
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Reaktionsgleichung von HRID 61517
HRID 61517als Eduktuspto-grants-2016_09
Reaktionsgleichung von HRID 70123
HRID 70123als Eduktuspto-grants-2014_09
Reaktionsgleichung von HRID 74208
HRID 74208als Eduktuspto-grants-2014_09
Reaktionsgleichung von HRID 74282
HRID 74282als Eduktuspto-grants-2014_09
Reaktionsgleichung von HRID 106609
HRID 106609als EduktTraining data from https://doi.org/10.1039/C8SC04228D (2/10)
Reaktionsgleichung von HRID 110796
HRID 110796als EduktTraining data from https://doi.org/10.1039/C8SC04228D (2/10)
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2-Amino-4-chlorophenol is a light brown colored crystalline solid. It may be toxic by ingestion. It is insoluble in water. It is used to make other chemicals.

Brown solid; [ICSC] Brown powder; [Alfa Aesar MSDS]

BROWN CRYSTALLINE POWDER WITH CHARACTERISTIC ODOUR.

Autoignition Temperature500 °C

Physikochemische Eigenschaften

Schmelzpunkt
136 · 136-141 °C(lit.)
Siedepunkt
185.5 °C · 185.5°C (rough estimate)
Dichte
1.2028 · 1.2028 (rough estimate)
Brechungsindex
1.5618 · 1.5618 (estimate)
storage temp.
2 · 2-8°C
Löslichkeit
2.3 g/l · 2.3g/l
pka
9.31 · 9.31±0.18(Predicted)
Aggregatzustand
Solid
Farbe
Pale Orange to Light Brown
Wasserlöslichkeit
0.1 g/100 · Insoluble. <0.1 g/100 mL at 20 ºC
BRN
774859 · 774859
Stabilität
Stable. Incompatible with strong oxidizing agents.
Kosmetik-Inhaltsstoffe Funktionen
HAIR DYEING
InChI
1S/C6H6ClNO/c7-4-1-2-6(9)5(8)3-4/h1-3,9H,8H2
InChIKey
SWFNPENEBHAHEB-UHFFFAOYSA-N
SMILES
Nc1cc(Cl)ccc1O
CAS Datenbank
95 · 95-85-2(CAS DataBase Reference)
NIST chemische Informationen
5 · 5-Chloro-2-hydroxyaniline(95-85-2)
EPA chemische Informationen
2 · 2-Amino-4-chlorophenol (95-85-2)
· 2 Einträge

Excerpt from ERG Guide 151 [Substances - Toxic (Non-Combustible)]:

· Highly toxic, may be fatal if inhaled, ingested or absorbed through skin.

Hazards SummaryCauses contact dermatitis. [ChemIDplus] May cause skin sensitization; [ICSC] A skin, eye, and mucous membrane irritant; [NTP] A skin and strong eye irritant; May induce methemoglobinemia; Toxic by ingestion; [Alfa Aesar MSDS]
DOT ID and Guide2673 151
Reactive GroupPhenols and Cresols
UN ClassificationUN Hazard Class: 6.1; UN Pack Group: II
Reactivity Profile2-AMINO-4-CHLOROPHENOL may react with strong oxidizing agents. (NTP, 1992)
Chemical DangersDecomposes on heating and on burning. This produces toxic and corrosive fumes including hydrogen chloride and nitrogen oxides. Reacts with oxidants.
Packaging and LabellingDo not transport with food and feedstuffs.

Sicherheit und Schutzausrüstung

Fire Fighting · 2 Einträge

Excerpt from ERG Guide 151 [Substances - Toxic (Non-Combustible)]:

Use water spray, foam, powder, carbon dioxide.

First Aid Measures · 4 Einträge

Fresh air, rest. Seek medical attention if you feel unwell.

Wear protective gloves when administering first aid. Remove contaminated clothes. Rinse and then wash skin with water and soap.

Rinse with plenty of water for several minutes (remove contact lenses if easily possible).

Rinse mouth. Refer for medical attention .

Accidental Release Measures · 2 Einträge

· CALL 911. Then call emergency response telephone number on shipping paper. If shipping paper not available or no answer, refer to appropriate telephone number listed on the inside back cover.

· Do not touch damaged containers or spilled material unless wearing appropriate protective clothing.

First Aid · 2 Einträge

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.

General First Aid:

Safe StorageSeparated from oxidants and food and feedstuffs.
Exposure Control and Personal Protection· Wear positive pressure self-contained breathing apparatus (SCBA).
Nonfire Spill ResponseExcerpt from ERG Guide 151 [Substances - Toxic (Non-Combustible)]:
Spillage Disposal · 1 Eintrag

Personal protection: particulate filter respirator adapted to the airborne concentration of the substance, protective clothing and protective gloves. Sweep spilled substance into covered containers. If appropriate, moisten first to prevent dusting. Carefully collect remainder. Then store and dispose of according to local regulations.

Isolation and Evacuation · 2 Einträge

Excerpt from ERG Guide 151 [Substances - Toxic (Non-Combustible)]:

Immediate precautionary measure

Eye PreventionWear safety goggles.
Fire PreventionNO open flames.
Inhalation RiskA nuisance-causing concentration of airborne particles can be reached quickly when dispersed, especially if powdered.

Toxikologische Informationen

Adverse EffectsMethemoglobinemia - The presence of increased methemoglobin in the blood; the compound is classified as secondary toxic effect
Exposure RoutesThe substance can be absorbed into the body by inhalation and by ingestion.
Toxicity Summary · 2 Einträge

The CIR Expert Panel concludes that the available data support the safety of 6-Amino-m-Cresol, 4-Amino-m-Cresol, 5-Amino-4-Chloro-o-Cresol and 5-Amino-6-Chloro-o-Cresol as used in oxidative and nonoxidative (semipermanent) for dyes. The available data also support the safety of 6-Amino-o-Cresol and 4-Chloro-2-Aminophenol for use in oxidative hair dyes, but are insufficient to support the safety of 6-Amino-o-Cresol and 4-Chloro-2-Aminophenol and nonoxidative (semipermanent) hair dyes.

Safe for use in cosmetics, with qualifications

Signs and Symptoms · 3 Einträge

See Effects of short-term exposure.

Redness.

Redness.

ICSC Environmental DataEnvironmental effects from the substance have not been investigated adequately.
Carcinogen Classification · 5 Einträge

2-Amino-4-chlorophenol

Group 2B: Possibly carcinogenic to humans

Volume 123: (2020) Some Nitrobenzenes and Other Industrial Chemicals

2020 online

2018

Sicherheitsdaten

wgk
3
tsca
TSCA listed
ridadr
UN 2673
hs_code
29222900
RTECS-Nr.
SJ5700000
risk_code
22-36/37/38-20/21/22
hazard_code
Xn
safety_code
26-36-36/37/39
hazard_class
6.1
packing_group
II
Speicherklasse
6.1A - Combustible acute toxic Cat. 1 and 2very toxic hazardous materials
Hazard Classifications
Acute Tox. 4 OralCarc. 2
Dinatrium-3-(5-chlor-2-hydroxyphenylazo)-4,5-dihydroxynaphthalin-2,7-disulfonat
Chromate,bis[4-[[3-[(5-chloro-2-hydroxyphenyl)azo]-2,4-dihydroxyphenyl]azo]-3-hydroxy-7-nitro-1-naphthalenesulfonato]-,disodium hydrogen
Mordant Black 56
Mordant Blue 18
Chromate(1-), [5-[[5-chloro-2-(hydroxy-κO)phenyl]azo-κN1]-4-hydroxy-6-(hydroxy-κO)-2-naphthalenesulfonato(3-)]hydroxy-, sodium
Mordant Green 28
Neutral Red 2gl
Solvent Red 243
Solvent Violet 58
Mordant violet 40 (C.I. 14745)
Acid Black 102