2-Propyl-1,3-thiazole-4-carboxylic acid

HCID 18435762

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Grundinformationen

CAS: 769123-53-7
Standard-SMILES: CCCc1nc(C(=O)O)cs1
InChIKey: MBWVPULRFTYSNB-UHFFFAOYSA-N
Summenformel: C7H9NO2S
Durchschnittliche Molmasse: 171,22 g/mol
Monoisotopische Masse: 171,0353997

Namen und Bezeichner

Bevorzugter Name: 2-Propyl-1,3-thiazole-4-carboxylic acid
IUPAC: 2-propyl-1,3-thiazole-4-carboxylic acid
Englischer Name: 2-PROPYL-1,3-THIAZOLE-4-CARBOXYLIC ACID
Summenformel: C7H9NO2S
Molmasse: 171.22

Namen und Synonyme

2-Propyl-1,3-thiazole-4-carboxylic acid769123-53-7DTXSID80593748RefChem:266401DTXCID60544511804-960-92-Propylthiazole-4-carboxylic acidMFCD09864422SCHEMBL21428832-Propylthiazole-4-carboxylicacidMBWVPULRFTYSNB-UHFFFAOYSA-NUFB12353

Weitere Namen anzeigen

4-Thiazolecarboxylic acid, 2-propyl-2-propyl-1,3-thiazole-4-carboxylic acid(SALTDATA: FREE)

AKOS009860837AT21449BS-38479DA-18634SY376505CS-0308635EN300-1261682F310252

Datenbank-Bezeichner

CAS: 769123-53-7
PubChem CID: 18435762
DTXSID: DTXSID80593748
EC Number: 804-960-9

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 2
Polarare Oberfläche (TPSA): 78,4 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 4
Frei drehbare Bindungen: 3
Schwere Atome: 11
Formalladung: 0
Komplexität: 151

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Warning

H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；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, 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.