Grundinformationen
- Standard-SMILES
Oc1ccccc1S- InChIKey
VMKYTRPNOVFCGZ-UHFFFAOYSA-N- Summenformel
- C6H6OS
- Durchschnittliche Molmasse
- 126,18 g/mol
- Monoisotopische Masse
- 126,01393581
Namen und Bezeichner
- Bevorzugter Name
- Phenol, o-mercapto-(6CI,7CI,8CI)
- IUPAC
- 2-sulfanylphenol
Namen und Synonyme
2-Hydroxythiophenol2-Mercaptophenol1121-24-0Phenol, 2-mercapto-o-Mercaptophenolo-Hydroxythiophenolo-Hydroxybenzenothiol2-HydroxybenzenothiolEINECS 214-326-8DTXSID80149906Phenol, o-mercapto-(6CI,7CI,8CI)RefChem:861377
Weitere Namen anzeigen
DTXCID1072397214-326-82-Sulfanylphenol2-HydroxybenzenethiolmercaptophenolMFCD000404472-Hydroxy thiophenolPhenol, mercapto-
Datenbank-Bezeichner
- CAS
1121-24-0- PubChem CID
- 70718
- DTXSID
DTXSID80149906- ChEMBL
CHEMBL1233444- EC Number
- 214-326-8
- Nikkaji
- J60.255H
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 1,7
- Polarare Oberfläche (TPSA)
- 21,2 Ų
- H-Brücken-Donoren
- 2
- H-Brücken-Akzeptoren
- 2
- Frei drehbare Bindungen
- 0
- Schwere Atome
- 8
- Formalladung
- 0
- Komplexität
- 74,9
Sicherheit und Regulatorisches
GHS-Klassifizierung
GHS Classification
Danger
H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]
P260, P264, P264+P265, P270, P280, P301+P316, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P330, P363, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 49 reports by companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Gefahrenhinweise
Regulatory Information2-Mercaptophenol: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and CategoriesAcute Tox. 3 (100%)
Zugehörige Reaktionen
53
Verknüpfte Notizen
Wird geladen…