2,4-Dimethyl-1,3-thiazole-5-carbaldehyde

HCID 2776249

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Grundinformationen

CAS: 95453-54-6
Standard-SMILES: Cc1nc(C)c(C=O)s1
InChIKey: XAHWXDLKIYXDCK-UHFFFAOYSA-N
Summenformel: C6H7NOS
Durchschnittliche Molmasse: 141,19 g/mol
Monoisotopische Masse: 141,02483502

Namen und Bezeichner

Bevorzugter Name: 2,4-Dimethyl-1,3-thiazole-5-carbaldehyde
IUPAC: 2,4-dimethyl-1,3-thiazole-5-carbaldehyde
Englischer Name: 2,4-DIMETHYL-1,3-THIAZOLE-5-CARBALDEHYDE
Summenformel: C6H7NOS
Molmasse: 141.19

Namen und Synonyme

2,4-dimethyl-1,3-thiazole-5-carbaldehydeRefChem:443717626-115-195453-54-62,4-dimethylthiazole-5-carbaldehyde2,4-Dimethylthiazole-5-carboxaldehyde5-Thiazolecarboxaldehyde, 2,4-dimethyl-2,4-DIMETHYL-1,3-THIAZOLE-5-CARBOXALDEHYDEMFCD034073202,4-Dimethyl-5-formyl-1,3-thiazoleiflab-bb f2124-02205-thiazolecarboxaldehyde, 2,4-dimethyl- (9ci)

Weitere Namen anzeigen

2,4-Dimethylthiazol-5-carbaldehyde2,4-dimethylthaizole-5-carbaldehyde

5-thiazolecarboxaldehyde,2,4-dimethyl-SCHEMBL454739SCHEMBL1042202DTXSID20379922XAHWXDLKIYXDCK-UHFFFAOYSA-NSBB0862012,4-dimethylthiazol-5-carboxaldehydeAKOS007930894

Datenbank-Bezeichner

CAS: 95453-54-6
PubChem CID: 2776249
DTXSID: DTXSID20379922
EC Number: 626-115-1

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 1,5
Polarare Oberfläche (TPSA): 58,2 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 3
Frei drehbare Bindungen: 1
Schwere Atome: 9
Formalladung: 0
Komplexität: 118

Physikochemische Eigenschaften

Schmelzpunkt: 23 · 23-27 °C(lit.)
Siedepunkt: 64 °C · 64 °C
Dichte: 1.213 · 1.213±0.06 g/cm3(Predicted)
Flammpunkt: 210 °F · 210 °F
storage temp.: 2 · under inert gas (nitrogen or Argon) at 2-8°C
pka: 2.25 · 2.25±0.10(Predicted)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H312 (97.6%): Harmful in contact with skin [Warning Acute toxicity, dermal]；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, P317, 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 41 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 CategoriesAcute Tox. 4 (100%)；Acute Tox. 4 (97.6%)；Skin Irrit. 2 (100%)；Eye Irrit. 2 (100%)；STOT SE 3 (100%)

Sicherheitsdaten

wgk: 3
hs_code: 2934100090
risk_code: 20/21/22-36/37/38
hazard_code: Xn
safety_code: 26-36

Chemie und Industrie

Anwendungen · 1 Eintrag

Verwenden2,4-Dimethylthiazole-5-carboxaldehyde is used to synthesize tetrasubstituted ethylenediamine-based derivs. as potent anticancer hFTase inhibitors. It is also used to prepare piperazinyl benzimidazoles as antagonists of gonadotropin-releasing hormone receptor.