2-Aminothiophenol (HCID 8713)

Überblick

2-aminothiophenol is an aryl thiol that is thiophenol substituted at position 2 by an amino group. It has a role as a plant metabolite. It is a substituted aniline and an aryl thiol.

Namen und Bezeichner

Bevorzugter Name: 2-Aminothiophenol
IUPAC: 2-aminobenzenethiol
Lokaler Name: 2-Aminobenzolthiol
Englischer Name: 2-Aminobenzenethiol
Summenformel: C6H7NS
Molmasse: 125.19

Namen und Synonyme

2-Aminothiophenol2-AMINOBENZENETHIOL137-07-5o-Aminothiophenol2-Mercaptoanilineo-Aminobenzenethiolo-MercaptoanilineBenzenethiol, 2-amino-2-Mercaptaniline1-Amino-2-mercaptobenzeneBenzenethiol, o-amino-o-Aminophenyl mercaptan

Weitere Namen anzeigen

Aminothiophenol2-Aminoa-Ethyl pyrrole2-AMINOBENZENTHIOL2-mercaptonoanilineNSC 106635

2-Aminophenyl mercaptan2-Amino-1-mercaptobenzeneKIT82KOK2ZNSC-4738DTXSID6051693CHEBI:91019NSC-106635RefChem:465230

Datenbank-Bezeichner

CAS: 137-07-5、40451-21-6
PubChem CID: 8713
DTXSID: DTXSID6051693
ChEMBL: CHEMBL116835
ChEBI: CHEBI:91019
UNII: KIT82KOK2Z
EC Number: 205-277-3
Nikkaji: J5.628F

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 1,4
Polarare Oberfläche (TPSA): 27 Å²
H-Brücken-Donoren: 2
H-Brücken-Akzeptoren: 2
Frei drehbare Bindungen: 0
Schwere Atome: 8
Formalladung: 0
Komplexität: 74,9

Experimentelle und physikochemische Eigenschaften

Chemical ClassesOther Classes -> Sulfur Compounds

SpringerMaterials Properties13C nuclear magnetic resonance spectrum

Vapor Pressure0.02 [mmHg]

Physical DescriptionMelting point = 26 deg C; [ChemIDplus] Liquid with a stench; Sensitive to air; mp = 19-21 deg C; [Alfa Aesar MSDS]

Physikochemische Eigenschaften

Schmelzpunkt: 23 °C · 23 °C
Siedepunkt: 70 · 70-72 °C0.2 mm Hg(lit.)
Dichte: 1.17 g/mL · 1.17 g/mL at 25 °C(lit.)
Dampfdruck: 1 hPa · 1 hPa (69 °C)
Brechungsindex: 20 · n20/D 1.642(lit.)
Flammpunkt: 175 °F · 175 °F
storage temp.: 20 °C · Store at <= 20°C.
Löslichkeit: 2 O: · H2O: slightly soluble
pka: 1 · pK1: <2(+1);pK2: 7.90(0) (25°C)
Aggregatzustand: Liquid
Farbe: Clear yellow to amber
Wasserlöslichkeit: INSOLUBLE
BRN: 606076 · 606076
Stabilität: Air Sensitive
InChI: 1S/C6H7NS/c7-5-3-1-2-4-6(5)8/h1-4,8H,7H2
InChIKey: VRVRGVPWCUEOGV-UHFFFAOYSA-N
SMILES: Nc1ccccc1S
CAS Datenbank: 137 · 137-07-5(CAS DataBase Reference)
NIST chemische Informationen: 2 · Benzenethiol, 2-amino-(137-07-5)
EPA chemische Informationen: 2 · Benzenethiol, 2-amino- (137-07-5)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 6 Einträge

This chemical does not meet GHS hazard criteria for 97% (2010 of 2073) of all reports.

Not Classified

Aggregated GHS information provided per 2073 reports by companies from 15 notifications to the ECHA C&L Inventory.

Warning

H227: Combustible liquid [Warning Flammable liquids]

P210, P280, P370+P378, P403, and P501 (click each P-code to see the statement)

Gefahrenhinweise

Regulatory Information · 3 Einträge

Chemical: Benzenethiol, 2-amino-

Status: Active Update: 15-03-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/22901

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

Hazards Summary · 1 Eintrag

Causes methemoglobinemia in oral lethal-dose studies of rats; [RTECS] Causes burns; May cause skin sensitization and methemoglobinemia; Inhalation may cause corrosive injuries to upper respiratory tract and lungs; Toxic by ingestion; May have cumulative effects; [Alfa Aesar MSDS] See 2-Aminophenol.

Hazard Classes and Categories · 2 Einträge

Not Classified

Flammable liquids - Category 4

Toxikologische Informationen

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

Sicherheitsdaten

F: 9-13-23
wgk: 3
tsca: TSCA listed
ridadr: UN 1760 8/PG 3
hs_code: 29309070
RTECS-Nr.: DC0600000
risk_code: 22-34-50/53-37-20/21/22
hazard_code: C,N
hazard_note: Corrosive/Stench
safety_code: 26-36/37/39-45-60-61-25-27
hazard_class: 8
packing_group: III
Speicherklasse: 8A - Combustible corrosive hazardous materials
Hazard Classifications: Acute Tox. 4 OralAquatic Acute 1Eye Dam. 1Skin Corr. 1B

Chemie und Industrie

Verwendung und Herstellung

UsesUsed for synthesis in the chemical industry; [IUCLID]

General Manufacturing InformationBenzenethiol, 2-amino-: ACTIVE

Anwendungen

VerwendenA multifunctional compound which shows antioxidant activity in a skin cell model of UVA-induced stress.

Vor- und nachgelagerte Produkte

Vorgelagerte Rohstoffe

Nachgelagerte Produkte

3-(Benzothiazol-2-yl)-7-(diethylamino)-2-benzopyron 1,3-Benzothiazole-2-carbonyl chloride Solvent Yellow 98 Benzothiazol-2-thiol 10-(2-Benzothiazolyl)-2,3,6,7-tetrahydro-1,1,7,7-tetramethyl-1H,5H,11H-(1)benzopyropyrano(6,7-8-I,j)quinolizin-11-one Diltiazem hydrochloride 2-(4-Methylphenyl)-benzothiazole Ethyl 1,3-benzothiazole-2-carboxylate 14H-Anthra[2,1,9-mna]thioxanthen-14-on Benzothiazol-2(3H)-on Penicillamin 1-(3-Methyl-4H-1,4-benzothiazin-2-yl)ethan-1-one

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