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HCID 21002Erstellt: 26. Oktober 2026

o-Nitrobenzolthiol

o-Nitrothiophenol · 2-Nitrothiophenol · 2-Nitro-benzenethiol · 2-Nitrobenzene-1-thiol · o-Nitromercaptobenzene · Benzenethiol, 2-nitro- · Nicotinamide Impurity 88 · 2-NITROTHIOPHENOL ISO 9001：2015 REACH

https://huagongshe.com/de/chemical/21002

Molekülstruktur von o-Nitrobenzolthiol

Identifikatoren & physikalische Daten

CAS No.4875-10-9
SummenformelC6H5NO2S
Durchschnittliche Molmasse155,18 g/mol
Monoisotopische Masse155,0040994 g/mol
SMILESO=[N+]([O-])c1ccccc1S
InChIKeyJKIFPWHZEZQCQA-UHFFFAOYSA-N
PubChem CID21002
ChEMBLCHEMBL4458612
EC No.225-483-7
DTXSIDDTXSID60197602
Lokaler Nameo-Nitrobenzolthiol

Chemische & physikalische Eigenschaften

XLogP2
Polarare Oberfläche (TPSA)46,8
H-Brücken-Donoren1
H-Brücken-Akzeptoren3
Frei drehbare Bindungen0
Schwere Atome10
Formalladung0
Komplexität134
Schmelzpunkt56 °C
Siedepunkt262.5±23.0 °C(Predicted)
Dichte1.362±0.06 g/cm3(Predicted)
pKa (Säurekonstante)5.10±0.43(Predicted)
InChIInChI=1S/C6H5NO2S/c8-7(9)5-3-1-2-4-6(5)10/h1-4,10H
InChIKeyJKIFPWHZEZQCQA-UHFFFAOYSA-N
SMILESC1(S)=CC=CC=C1[N+]([O-])=O

Sicherheit & Vorschriften

GHS-EinstufungDangerH301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]P260, P262, P264, P264+P265, P270, P271, P280, P284, P301+P316, P302+P352, P304+P340, P305+P354+P338, P316, P317, P320, P321, P330, P361+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard Classes and CategoriesAcute Tox. 3 (100%)
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