2-Chlorthiazol

2-Chlorothiazole

HCID 76429CAS 3034-52-4

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Grundinformationen

Standard-SMILES: Clc1nccs1
InChIKey: KLEYVGWAORGTIT-UHFFFAOYSA-N
Summenformel: C3H2ClNS
Durchschnittliche Molmasse: 119,57 g/mol
Monoisotopische Masse: 118,9596479

Namen und Bezeichner

Bevorzugter Name: 2-Chlorothiazole
IUPAC: 2-chloro-1,3-thiazole
Lokaler Name: 2-Chlorthiazol
Englischer Name: 2-Chlorothiazole
Summenformel: C3H2ClNS
Molmasse: 119.57

Namen und Synonyme

2-Chlorothiazole2-chloro-1,3-thiazoleThiazole, 2-chloro-TA2DNZ4W48EINECS 221-228-9NSC-43543CHEBI:39187DTXSID30184428NSC 43543RefChem:86543DTXCID40106919221-228-9

Weitere Namen anzeigen

orothiazoL2-CHLOROTHIOZOLE2-Chlorothiazole,97%2-Chlorothiazole 96%2-Chlorothiazole >2-CHLORO-1,3-THIAZOLE

3034-52-4MFCD002107012-Thiazolyl Chloride2-Chlothiozolechlorothiazole2-chloro-thiazoleNSC435432-Chlorothiazole, 96%

Datenbank-Bezeichner

CAS: 3034-52-4
PubChem CID: 76429
DTXSID: DTXSID30184428
ChEMBL: CHEMBL5170145
ChEBI: CHEBI:39187
UNII: TA2DNZ4W48
EC Number: 221-228-9
Nikkaji: J205.343H

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 1,7
Polarare Oberfläche (TPSA): 41,1 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 2
Frei drehbare Bindungen: 0
Schwere Atome: 6
Formalladung: 0
Komplexität: 50

Physikochemische Eigenschaften

Schmelzpunkt: 85 °C · 85 °C
Siedepunkt: 145 °C · 145 °C
Dichte: 1.393 g/mL · 1.393 g/mL at 25 °C
Brechungsindex: 20 · n20/D1.551
Flammpunkt: 54 ℃ · 54℃
storage temp.: 2 · Inert atmosphere,2-8°C
Löslichkeit: soluble in Ether
Aggregatzustand: clear liquid
pka: 0.84 · 0.84±0.10(Predicted)
Farbe: Colorless to Almost colorless
InChI: InChI=1S/C3H2ClNS/c4-3-5-1-2-6-3/h1-2H
InChIKey: KLEYVGWAORGTIT-UHFFFAOYSA-N
SMILES: S1C=CN=C1Cl
CAS Datenbank: 3034 · 3034-52-4(CAS DataBase Reference)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Danger

H226 (91.7%): Flammable liquid and vapor [Warning Flammable liquids]；H302 (87.5%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (14.6%): Causes skin irritation [Warning Skin corrosion/irritation]；H318 (85.4%): Causes serious eye damage [Danger Serious eye damage/eye irritation]；H319 (14.6%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (10.4%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P305+P354+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 48 reports by companies from 4 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 CategoriesFlam. Liq. 3 (91.7%)；Acute Tox. 4 (87.5%)；Skin Irrit. 2 (14.6%)；Eye Dam. 1 (85.4%)；Eye Irrit. 2 (14.6%)；STOT SE 3 (10.4%)