3-Amino-1-(2-(trifluoromethyl)phenyl)thiourea

HCID 723187CAS 38901-29-0

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Grundinformationen

Standard-SMILES: NNC(=S)Nc1ccccc1C(F)(F)F
InChIKey: DJHSXXYKSJQDKZ-UHFFFAOYSA-N
Summenformel: C8H8F3N3S
Durchschnittliche Molmasse: 235,23 g/mol
Monoisotopische Masse: 235,03910293

Namen und Bezeichner

Bevorzugter Name: 3-Amino-1-(2-(trifluoromethyl)phenyl)thiourea
IUPAC: 1-amino-3-[2-(trifluoromethyl)phenyl]thiourea
Englischer Name: 4-[2-(Trifluoromethyl)phenyl]-3-thiosemicarbazide
Summenformel: C8H8F3N3S
Molmasse: 235.23

Namen und Synonyme

3-amino-1-[2-(trifluoromethyl)phenyl]thiourea3-Amino-1-(2-(trifluoromethyl)phenyl)thioureaRefChem:496723671-255-938901-29-04-[2-(Trifluoromethyl)phenyl]-3-thiosemicarbazideN-(2-(trifluoromethyl)phenyl)hydrazinecarbothioamide1-amino-3-[2-(trifluoromethyl)phenyl]thiourean-[2-(trifluoromethyl)phenyl]hydrazinecarbothioamideMFCD000605694-(2-(trifluoromethyl)phenyl)-3-thiosemicarbazidehydrazino{[2-(trifluoromethyl)phenyl]amino}methane-1-thione

Weitere Namen anzeigen

4-[2-(Triffluoromethyl)phenyl]-3-thiosemicarbazide4-[2-(Trifluoromethyl)phenyl]-3-thiosemicarbazide97%Hydrazinecarbothioamide, N-[2-(trifluoromethyl)phenyl]-3-[[2-(3-fluorophenyl)-2-oxoethyl]thio]-4-(4-phenylmethoxyphenyl)-1H-1,2,4-triazol-5-one

SCHEMBL7819531DTXSID10352325HMS1786A10CCG-46979SBB098399AKOS000122635ST51041691EN300-03799

Datenbank-Bezeichner

CAS: 38901-29-0
PubChem CID: 723187
DTXSID: DTXSID10352325
EC Number: 671-255-9

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 0,8
Polarare Oberfläche (TPSA): 82,2 Å²
H-Brücken-Donoren: 3
H-Brücken-Akzeptoren: 5
Frei drehbare Bindungen: 1
Schwere Atome: 15
Formalladung: 0
Komplexität: 232

Physikochemische Eigenschaften

Schmelzpunkt: 159 · 159-161°C
Siedepunkt: 290.9 · 290.9±50.0 °C(Predicted)
Dichte: 1.471 · 1.471±0.06 g/cm3(Predicted)
storage temp.: Keep in dark place,Sealed in dry,Room Temperature
pka: 10.12 · 10.12±0.70(Predicted)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Danger

H301 (33.3%): Toxic if swallowed [Danger Acute toxicity, oral]；H302 (33.3%): Harmful if swallowed [Warning Acute toxicity, oral]；H312 (33.3%): 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 (33.3%): 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+P316, 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 3 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.