4-Ethoxyphenylthiourea

HCID 853569

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Basic information

CAS: 880-29-5
Standard SMILES: CCOc1ccc(NC(N)=S)cc1
InChIKey: QGLYTNIXHPCRCF-UHFFFAOYSA-N
Molecular formula: C9H12N2OS
Average molar mass: 196.27 g/mol
Monoisotopic mass: 196.06703418

Names & identifiers

Preferred name: 4-Ethoxyphenylthiourea
IUPAC: (4-ethoxyphenyl)thiourea
English name: 1-(4-ETHOXYPHENYL)-2-THIOUREA
Molecular formula: C9H12N2OS
Molecular weight: 196.27

Names & synonyms

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-

Show more names

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

Database identifiers

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

Properties

Computed structural properties

XLogP: 1.6
Topological polar surface area: 79.4 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 2
Rotatable bonds: 3
Heavy atoms: 13
Formal charge: 0
Complexity: 167

Physicochemical properties

Melting point: 173 °C · 173°C
Boiling point: 324.3 · 324.3±44.0 °C(Predicted)
Density: 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)
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H315-H319-H335
Precautionary statements: 261 · P261-P301+P330+P331-P302+P352-P304+P340-P305+P351+P338
Risk Statements: 25 · 25
Safety Statements: 22 · 22-36/37/39
RIDADR: 2811 · 2811
HazardClass: IRRITANT

Safety & regulation

GHS classification

GHS Classification · 5 items

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.

Hazard information

Hazard Classes and CategoriesAcute Tox. 4 (50%)；Acute Tox. 4 (50%)；Skin Irrit. 2 (100%)；Eye Irrit. 2A (100%)；Acute Tox. 4 (50%)；STOT SE 3 (100%)

Safety data

ridadr: 2811
risk_code: 25
Signal word: Warning
Symbol(GHS): GHS07
safety_code: 22-36/37/39
hazard_class: IRRITANT
Hazard statements: H302-H315-H319-H335
Precautionary statements: P261-P301+P330+P331-P302+P352-P304+P340-P305+P351+P338