(1,3-Thiazol-4-yl)methanol

HCID 2763215CAS 7036-04-6

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Grundinformationen

Standard-SMILES: OCc1cscn1
InChIKey: WQVOUANKVCYEIQ-UHFFFAOYSA-N
Summenformel: C4H5NOS
Durchschnittliche Molmasse: 115,16 g/mol
Monoisotopische Masse: 115,00918496

Namen und Bezeichner

Bevorzugter Name: (1,3-Thiazol-4-yl)methanol
IUPAC: 1,3-thiazol-4-ylmethanol
Englischer Name: 4-Hydroxymethylthiazole
Summenformel: C4H5NOS
Molmasse: 115.15

Namen und Synonyme

(1,3-thiazol-4-yl)methanolRefChem:391418672-899-37036-04-64-(Hydroxymethyl)thiazole4-Hydroxymethylthiazolethiazole-4-methanolthiazol-4-ylmethanol1,3-thiazol-4-ylmethanolMFCD041157284-(hydroxymethyl)-1,3-thiazole4-THIAZOLEMETHANOL

Weitere Namen anzeigen

4-(Hydroxymethyl)-1,3-thiazole95%4-(Hydroxymethyl)-1,3-thiazole 95%4-HydroxyMethylthiazole CAS7036-04-6

(Thiazol-4-yl)methanol4-Hydroxymethylthiaz(4-thiazolyl)methanolthiazol-4-yl-methanolSCHEMBL243565SCHEMBL243566SCHEMBL9709051,3-thiazol-4-ylmethan-1-ol

Datenbank-Bezeichner

CAS: 7036-04-6
PubChem CID: 2763215
DTXSID: DTXSID80376816
EC Number: 672-899-3
Nikkaji: J2.226.429J

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 0,1
Polarare Oberfläche (TPSA): 61,4 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 3
Frei drehbare Bindungen: 1
Schwere Atome: 7
Formalladung: 0
Komplexität: 59

Physikochemische Eigenschaften

Schmelzpunkt: 112 · 112-114 °C(Solv: ethyl ether (60-29-7); ethanol (64-17-5))
Siedepunkt: 85 · 85-90/0.5mm
Dichte: 1.339 · 1.339±0.06 g/cm3(Predicted)
storage temp.: 2 · 2-8°C
Aggregatzustand: liquid
pka: 13.21 · 13.21±0.10(Predicted)
Farbe: colourless
InChI: InChI=1S/C4H5NOS/c6-1-4-2-7-3-5-4/h2-3,6H,1H2
InChIKey: WQVOUANKVCYEIQ-UHFFFAOYSA-N
SMILES: S1C=C(CO)N=C1
CAS Datenbank: 7036 · 7036-04-6(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 (100%): 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 3 reports by companies from 3 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.