4-(Chloromethyl)-2-(4-chlorophenyl)-1,3-thiazole

HCID 610297

Notizen Reaktionen

Teilstruktursuche Ähnliche Strukturen suchen

Grundinformationen

CAS: 17969-22-1
Standard-SMILES: ClCc1csc(-c2ccc(Cl)cc2)n1
InChIKey: UEJQTBKTWJQBRN-UHFFFAOYSA-N
Summenformel: C10H7Cl2NS
Durchschnittliche Molmasse: 244,14 g/mol
Monoisotopische Masse: 242,9676258

Namen und Bezeichner

Bevorzugter Name: 4-(Chloromethyl)-2-(4-chlorophenyl)-1,3-thiazole
IUPAC: 4-(chloromethyl)-2-(4-chlorophenyl)-1,3-thiazole
Englischer Name: 4-(CHLOROMETHYL)-2-(4-CHLOROPHENYL)-1,3-THIAZOLE
Summenformel: C10H7Cl2NS
Molmasse: 244.14

Namen und Synonyme

4-(Chloromethyl)-2-(4-chlorophenyl)-1,3-thiazole17969-22-1DTXSID70346189RefChem:288693DTXCID10297262814-496-94-(Chloromethyl)-2-(4-chlorophenyl)thiazoleThiazole, 4-(chloromethyl)-2-(4-chlorophenyl)-MFCD00047057Thiazole, 4-(chloromethyl)-2-(p-chlorophenyl)-4-CHLOROMETHYL-2-(4-CHLORO-PHENYL)-THIAZOLEThiazole,4-(chloromethyl)-2-(4-chlorophenyl)-

Weitere Namen anzeigen

4-(Chloromethyl)-2-(4-chlorophenyl)-12-(chloromethyl)-4-(4-chlorophenyl)thiazole4-(Chloromethyl)-2-(4-chlorophenyl)-1,3-thiazole, HCl

MLS000389685SCHEMBL203617CHEMBL510132F2145-0261HMS2543N17ALBB-002334CS-M2028STK470393

Datenbank-Bezeichner

CAS: 17969-22-1
PubChem CID: 610297
DTXSID: DTXSID70346189
ChEMBL: CHEMBL510132
EC Number: 814-496-9
Nikkaji: J143.006H

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 3,7
Polarare Oberfläche (TPSA): 41,1 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 2
Frei drehbare Bindungen: 2
Schwere Atome: 14
Formalladung: 0
Komplexität: 183

Physikochemische Eigenschaften

Schmelzpunkt: 78 °C · 78 °C
Siedepunkt: 373.989 · 373.989±52.00 °C(Press: 760.00 Torr)(predicted)
Dichte: 1.379 · 1.379±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
storage temp.: -20 °C, · -20°C, stored under nitrogen
pka: -0.289 · -0.289±0.10(predicted)
CAS Datenbank: 17969 · 17969-22-1

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Danger

H302 (100%): 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]；H318 (50%): Causes serious eye damage [Danger Serious eye damage/eye irritation]；H319 (50%): 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, P305+P354+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.

Gefahrenhinweise

Hazard Classes and CategoriesAcute Tox. 4 (100%)；Acute Tox. 4 (50%)；Skin Irrit. 2 (100%)；Eye Dam. 1 (50%)；Eye Irrit. 2 (50%)；Acute Tox. 4 (50%)；STOT SE 3 (100%)