4-Ethoxyphenylthioharnstoff

4-Ethoxyphenylthiourea

HCID 853569CAS 880-29-5

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Grundinformationen

Standard-SMILES: CCOc1ccc(NC(N)=S)cc1
InChIKey: QGLYTNIXHPCRCF-UHFFFAOYSA-N
Summenformel: C9H12N2OS
Durchschnittliche Molmasse: 196,27 g/mol
Monoisotopische Masse: 196,06703418

Namen und Bezeichner

Bevorzugter Name: 4-Ethoxyphenylthiourea
IUPAC: (4-ethoxyphenyl)thiourea
Lokaler Name: 4-Ethoxyphenylthioharnstoff
Englischer Name: 1-(4-ETHOXYPHENYL)-2-THIOUREA
Summenformel: C9H12N2OS
Molmasse: 196.27

Namen und Synonyme

4-EthoxyphenylthioureaRefChem:522692212-912-8880-29-51-(4-ethoxyphenyl)thiourea(4-Ethoxyphenyl)thioureaN-(4-ethoxyphenyl)thiourea1-(4-Ethoxyphenyl)-2-thiourea(p-Ethoxyphenyl)thiourea4-Thioureidophenetolep-ETHOXYPHENYLTHIOUREAUrea, 1-(p-ethoxyphenyl)-2-thio-

Weitere Namen anzeigen

AKOS BBS-00000711(4-ethoxyphenyl)-thioure1-(p-Ethoxyphenyl)thiourea

1-(p-Ethoxyphenyl)-2-thioureaNSC-31198Thiourea, (4-ethoxyphenyl)-Urea, 1-p-phenethyl-2-thio-amino[(4-ethoxyphenyl)amino]methane-1-thioneEINECS 212-912-8MFCD00039662(4-Ethoxy-phenyl)-thiourea

Datenbank-Bezeichner

CAS: 880-29-5
PubChem CID: 853569
DTXSID: DTXSID10236752
UNII: HD73V434V5
EC Number: 212-912-8
Nikkaji: J30.219H

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 1,6
Polarare Oberfläche (TPSA): 79,4 Å²
H-Brücken-Donoren: 2
H-Brücken-Akzeptoren: 2
Frei drehbare Bindungen: 3
Schwere Atome: 13
Formalladung: 0
Komplexität: 167

Physikochemische Eigenschaften

Schmelzpunkt: 173 °C · 173°C
Siedepunkt: 324.3 · 324.3±44.0 °C(Predicted)
Dichte: 1.241 · 1.241±0.06 g/cm3(Predicted)
storage temp.: Keep in dark place,Inert atmosphere,Room temperature
pka: 13.47 · 13.47±0.70(Predicted)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Warning

H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]；H312 (50%): Harmful in contact with skin [Warning Acute toxicity, dermal]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H332 (50%): Harmful if inhaled [Warning Acute toxicity, inhalation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+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.；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.