1,3-Thiazole-4-carboxamide

HCID 445276CAS 3575-09-5

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Grundinformationen

Standard-SMILES: NC(=O)c1cscn1
InChIKey: PQQRHWFRZHFGFM-UHFFFAOYSA-N
Summenformel: C4H4N2OS
Durchschnittliche Molmasse: 128,15 g/mol
Monoisotopische Masse: 128,00443393

Namen und Bezeichner

Bevorzugter Name: 1,3-Thiazole-4-carboxamide
IUPAC: 1,3-thiazole-4-carboxamide
Englischer Name: Thiazole-4-carboxamide
Summenformel: C4H4N2OS
Molmasse: 128.15

Namen und Synonyme

1,3-thiazole-4-carboxamideRefChem:415732960-899-9Thiazole-4-carboxamide3575-09-5MFCD006235904-THIAZOLECARBOXAMIDEThiazole-4-carboxamide, 1,3-thiazole-4-carboxamide, 3575-09-5, Thiazole-4-carboxylic acid amide, Thiazole-4-carboxamide;, AC1L9HPR, ACMC-1CQP1, SureCN166576, 4-THIAZOLECARBOXAMIDE, ANW-13839, WTI-10222, ZINC02046868, AKOS006239111, AB06564, AG-B-76921, OR59344, RP00869, AK-28093, AM803773, KB-61596SCHEMBL166576SCHEMBL742184SCHEMBL1373859DTXSID50332181

Weitere Namen anzeigen

Thiazole-4-carboxylic acid amide

PQQRHWFRZHFGFM-UHFFFAOYSA-NThiazole-4-carboxamide, AldrichCPRAKOS006239111AB06564SY229713TS-00016CS-0342857EN300-131869

Datenbank-Bezeichner

CAS: 3575-09-5
PubChem CID: 445276
DTXSID: DTXSID50332181
EC Number: 960-899-9
Nikkaji: J783.268K

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 0,2
Polarare Oberfläche (TPSA): 84,2 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 3
Frei drehbare Bindungen: 1
Schwere Atome: 8
Formalladung: 0
Komplexität: 106

Physikochemische Eigenschaften

storage temp.: -20 °C · Sealed in dry,Store in freezer, under -20°C

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (50%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (50%): 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.