4-(2-Thioureido)benzoesure

4-Thioureidobenzoic acid

HCID 736216CAS 7366-56-5
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Grundinformationen

Standard-SMILES
NC(=S)Nc1ccc(C(=O)O)cc1
InChIKey
FOYDMXZTPAEILY-UHFFFAOYSA-N
Summenformel
C8H8N2O2S
Durchschnittliche Molmasse
196,23 g/mol
Monoisotopische Masse
196,03064868

Namen und Bezeichner

Bevorzugter Name
4-Thioureidobenzoic acid
IUPAC
4-(carbamothioylamino)benzoic acid
Lokaler Name
4-(2-Thioureido)benzoesure
Englischer Name
(4-CARBOXYPHENYL)THIOUREA
Summenformel
C8H8N2O2S
Molmasse
196.23

Namen und Synonyme

4-Thioureidobenzoic acid7366-56-54-(2-Thioureido)benzoic acid4-carboxyphenylthiourea4-[(Aminothioxomethyl)amino]benzoic acidHHU9SXZ44Xn-(4-carboxyphenyl)thioureaEINECS 230-910-5NSC-49255Benzoic acid, 4-[(aminothioxomethyl)amino]-(P-CARBOXYPHENYL)THIOUREADTXSID40223872
Weitere Namen anzeigen
RARECHEM AL BO 04444-Thioureidobenzoicaci4-Thioureidobenzoicacid(4-CARBOXYPHENYL)THIOUREA1-(4-CARBOXYPHENY)-2-THIOUREAPhenylthiourea-4-carboxylicacid
NSC 492554-((AMINOTHIOXOMETHYL)AMINO)BENZOIC ACIDBENZOIC ACID, 4-((AMINOTHIOXOMETHYL)AMINO)-RefChem:527019DTXCID70146363230-910-54-(carbamothioylamino)benzoic acid1-(4-carboxyphenyl)-2-thiourea

Datenbank-Bezeichner

CAS
7366-56-5
PubChem CID
736216
DTXSID
DTXSID40223872
UNII
HHU9SXZ44X
EC Number
230-910-5
Nikkaji
J212.363K

Eigenschaften

Berechnete Struktureigenschaften

XLogP
1,3
Polarare Oberfläche (TPSA)
107 Ų
H-Brücken-Donoren
3
H-Brücken-Akzeptoren
3
Frei drehbare Bindungen
2
Schwere Atome
13

Physikochemische Eigenschaften

Schmelzpunkt
255 °C · 255 °C
Siedepunkt
394.3 · 394.3±44.0 °C(Predicted)
Dichte
1.508 · 1.508±0.06 g/cm3(Predicted)
storage temp.
2 · 2-8°C(protect from light)
pka
4.04 · 4.04±0.10(Predicted)
BRN
2805627 · 2805627

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Danger

H301 (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 exposure; Respiratory 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.

Gefahrenhinweise

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%)

Sicherheitsdaten

ridadr
2811
hs_code
29309090
risk_code
22-36/37/38
safety_code
26-36/37/39
hazard_class
IRRITANT
packing_group
III

Chemie und Industrie

Vor- und nachgelagerte Produkte

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上海衡新化工科技有限公司13917104483; 13917104483 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
广州佳途科技股份有限公司81960175 18933936954 · [email protected]
河南赢创生物科技有限公司16650615803 · [email protected]
上海腾准生物科技有限公司19821570922 · [email protected]

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