5-Methyl-1,3-thiazole-2-carbaldehyde

HCID 13968795

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Grundinformationen

CAS: 13838-78-3
Standard-SMILES: Cc1cnc(C=O)s1
InChIKey: UUIAJFQYWAFZEO-UHFFFAOYSA-N
Summenformel: C5H5NOS
Durchschnittliche Molmasse: 127,17 g/mol
Monoisotopische Masse: 127,00918496

Namen und Bezeichner

Bevorzugter Name: 5-Methyl-1,3-thiazole-2-carbaldehyde
IUPAC: 5-methyl-1,3-thiazole-2-carbaldehyde
Englischer Name: 5-Methyl-1,3-thiazole-2-carboxaldehyde
Summenformel: C5H5NOS
Molmasse: 127.16

Namen und Synonyme

13838-78-35-methyl-1,3-thiazole-2-carbaldehydeDTXSID30553458RefChem:303912DTXCID10504241830-934-15-Methylthiazole-2-carbaldehyde2-THIAZOLECARBOXALDEHYDE, 5-METHYL-5-Methyl-1,3-thiazole-2-carboxaldehydeMFCD080607335-Methyl-thiazole-2-carbaldehydeCS-W003454

Weitere Namen anzeigen

Methylthiazole-2-Formyl-5-methyl-1,3-thiazole5-Methylthiazole-2-carboxaldehyde

AC-27892AS-18106Z10376065185-METHYL-2-THIAZOLECARBOXALDEHYDEBCP101072-THIAZOLEBB 0262068FT-0683976

Datenbank-Bezeichner

CAS: 13838-78-3
PubChem CID: 13968795
DTXSID: DTXSID30553458
EC Number: 830-934-1
Nikkaji: J2.744.990E

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 1,1
Polarare Oberfläche (TPSA): 58,2 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 3
Frei drehbare Bindungen: 1
Schwere Atome: 8
Formalladung: 0
Komplexität: 96

Physikochemische Eigenschaften

Siedepunkt: 236 ℃ · 236.0℃
Dichte: 1.27 · 1.270
Flammpunkt: 96.5 ℃ · 96.5℃
storage temp.: 2 · under inert gas (nitrogen or Argon) at 2-8°C
Aggregatzustand: solid
pka: 0.92 · 0.92±0.10(Predicted)
InChI: 1S/C5H5NOS/c1-4-2-6-5(3-7)8-4/h2-3H,1H3
InChIKey: UUIAJFQYWAFZEO-UHFFFAOYSA-N
SMILES: Cc1cnc(C=O)s1

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.