(2-Methyl-1,3-thiazol-4-yl)methanol

HCID 10582809

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Grundinformationen

CAS: 76632-23-0
Standard-SMILES: Cc1nc(CO)cs1
InChIKey: KRCIFTBSQKDYMH-UHFFFAOYSA-N
Summenformel: C5H7NOS
Durchschnittliche Molmasse: 129,18 g/mol
Monoisotopische Masse: 129,02483502

Namen und Bezeichner

Bevorzugter Name: (2-Methyl-1,3-thiazol-4-yl)methanol
IUPAC: (2-methyl-1,3-thiazol-4-yl)methanol
Englischer Name: (2-Methyl-1,3-thiazol-4-yl)methanol
Summenformel: C5H7NOS
Molmasse: 129.18

Namen und Synonyme

76632-23-0(2-methyl-1,3-thiazol-4-yl)methanolDTXSID10441960RefChem:206145DTXCID10392781804-502-8(2-Methylthiazol-4-yl)methanol4-Thiazolemethanol, 2-methyl-4-Hydroxymethyl-2-methylthiazoleMFCD087036372-methylthiazole-4-methanol(2-Methyl-thiazol-4-yl)-methanol

Weitere Namen anzeigen

2-Methyl-4-(hydroxyMethyl)thiazole(2-methyl-1,3-thiazol-4-yl)methanol(SALTDATA: FREE)

4-(hydroxymethyl)-2-methylthiazole2-methyl-4-thiazolemethanolSCHEMBL914923orb3029807SCHEMBL2845442KRCIFTBSQKDYMH-UHFFFAOYSA-NFr16733ALBB-037260

Datenbank-Bezeichner

CAS: 76632-23-0
PubChem CID: 10582809
DTXSID: DTXSID10441960
EC Number: 804-502-8

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 0,5
Polarare Oberfläche (TPSA): 61,4 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 3
Frei drehbare Bindungen: 1
Schwere Atome: 8
Formalladung: 0
Komplexität: 78

Physikochemische Eigenschaften

Schmelzpunkt: 50 °C · 50 °C
Siedepunkt: 104 °C · 104 °C(Press: 5 Torr)
Dichte: 1.263 · 1.263±0.06 g/cm3(Predicted)
Flammpunkt: 110 ℃ · >110℃
storage temp.: 2 · under inert gas (nitrogen or Argon) at 2-8°C
pka: 13.23 · 13.23±0.10(Predicted)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Danger

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H318 (97.4%): Causes serious eye damage [Danger 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+P354+P338, P317, P319, P321, P332+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 39 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.