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HCID 736216Erstellt: 23. Oktober 2026

4-(2-Thioureido)benzoesure

RARECHEM AL BO 0444 · 4-Thioureidobenzoicaci · 4-Thioureidobenzoicacid · (4-CARBOXYPHENYL)THIOUREA · 4-(2-thioureido)benzoic acid · 1-(4-CARBOXYPHENY)-2-THIOUREA · 1-(4-CARBOXYPHENYL)-2-THIOUREA · Phenylthiourea-4-carboxylicacid

https://huagongshe.com/de/chemical/736216

Molekülstruktur von 4-(2-Thioureido)benzoesure

Identifikatoren & physikalische Daten

CAS No.7366-56-5
SummenformelC8H8N2O2S
Durchschnittliche Molmasse196,23 g/mol
Monoisotopische Masse196,03064868 g/mol
SMILESNC(=S)Nc1ccc(C(=O)O)cc1
InChIKeyFOYDMXZTPAEILY-UHFFFAOYSA-N
PubChem CID736216
EC No.230-910-5
DTXSIDDTXSID40223872
Lokaler Name4-(2-Thioureido)benzoesure

Chemische & physikalische Eigenschaften

XLogP1,3
Polarare Oberfläche (TPSA)107
H-Brücken-Donoren3
H-Brücken-Akzeptoren3
Frei drehbare Bindungen2
Schwere Atome13
Formalladung0
Komplexität212
Schmelzpunkt255 °C
Siedepunkt394.3±44.0 °C(Predicted)
Dichte1.508±0.06 g/cm3(Predicted)
Lagerbedingungen2-8°C(protect from light)
pKa (Säurekonstante)4.04±0.10(Predicted)
BRN2805627
CAS Datenbank7366-56-5(CAS DataBase Reference)

Sicherheit & Vorschriften

GHS-EinstufungDangerH301 (88.6%): Toxic if swallowed [Danger Acute toxicity, oral]H315 (11.4%): Causes skin irritation [Warning Skin corrosion/irritation]H317 (88.6%): May cause an allergic skin reaction [Warning Sensitization, Skin]H319 (11.4%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]H335 (11.4%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposureRespiratory tract irritation]P261, P264, P264+P265, P270, P271, P272, P280, P301+P316, P302+P352, P304+P340, P305+P351+P338, 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 44 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.
Hazard Classes and CategoriesAcute Tox. 3 (88.6%)Skin Irrit. 2 (11.4%)Skin Sens. 1 (88.6%)Eye Irrit. 2 (11.4%)STOT SE 3 (11.4%)
UN-Transportnummer2811
Zollcode29309090
R-Sätze (R)22-36/37/38
Sicherheitshinweise (S)26-36/37/39
GefahrenklasseIRRITANT
VerpackungsgruppeIII