Thiazol-5-carbonsure

Thiazole-5-carboxylic acid

HCID 84494CAS 14527-41-4

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Grundinformationen

Standard-SMILES: O=C(O)c1cncs1
InChIKey: YZVFSQQHQPPKNX-UHFFFAOYSA-N
Summenformel: C4H3NO2S
Durchschnittliche Molmasse: 129,14 g/mol
Monoisotopische Masse: 128,98844951

Namen und Bezeichner

Bevorzugter Name: Thiazole-5-carboxylic acid
IUPAC: 1,3-thiazole-5-carboxylic acid
Lokaler Name: Thiazol-5-carbonsure
Englischer Name: Thiazole-5-carboxylic acid
Summenformel: C4H3NO2S
Molmasse: 129.14

Namen und Synonyme

Thiazole-5-carboxylic acid14527-41-45-Thiazolecarboxylic acidEINECS 238-545-3DTXSID40162959RefChem:897666DTXCID0085450238-545-31,3-thiazole-5-carboxylic acidMFCD034285395-ThiazolecarboxylicacidGEO-02589

Weitere Namen anzeigen

AKOS BB-9162RARECHEM AL BE 12615-Carboxy-1,3-thiazoleThiazole-5-carboxylicaci1,3-Thiazole-5-carboxyic acidThiazole-5-carboxylic acid ,98%

AKOS001283243CS-W003082AB15430PS-5457T2495Z204146918Thiazole-5-carboxylicBB 0259225

Datenbank-Bezeichner

CAS: 14527-41-4
PubChem CID: 84494
DTXSID: DTXSID40162959
EC Number: 238-545-3
Nikkaji: J241.284E

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 0,8
Polarare Oberfläche (TPSA): 78,4 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 4
Frei drehbare Bindungen: 1
Schwere Atome: 8
Formalladung: 0
Komplexität: 106

Physikochemische Eigenschaften

Schmelzpunkt: 190 · 190-198
Siedepunkt: 107 · 107-108 °C(Press: 10 Torr)
Dichte: 1.525 · 1.525±0.06 g/cm3(Predicted)
storage temp.: 2 · 2-8°C
Aggregatzustand: powder
pka: 3.07 · 3.07±0.10(Predicted)
Farbe: Lemon to amber
InChI: InChI=1S/C4H3NO2S/c6-4(7)3-1-5-2-8-3/h1-2H,(H,6,7)
InChIKey: YZVFSQQHQPPKNX-UHFFFAOYSA-N
SMILES: S1C(C(O)=O)=CN=C1
CAS Datenbank: 14527 · 14527-41-4(CAS DataBase Reference)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (60%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 5 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.