5-Thiazolylmethanol
Grundinformationen
- CAS
38585-74-9- Standard-SMILES
OCc1cncs1- InChIKey
WKBQQWDVVHGWDB-UHFFFAOYSA-N- Summenformel
- C4H5NOS
- Durchschnittliche Molmasse
- 115,16 g/mol
- Monoisotopische Masse
- 115,00918478
Namen und Bezeichner
- Bevorzugter Name
- 5-Thiazolylmethanol
- IUPAC
- 1,3-thiazol-5-ylmethanol
- Englischer Name
- 5-Hydroxymethylthiazole
- Summenformel
- C4H5NOS
- Molmasse
- 115.15
Namen und Synonyme
38585-74-95-Thiazolemethanol5-(Hydroxymethyl)thiazole5-thiazolylmethanol5-(hydroxymethyl)-1,3-thiazole73J5JZ943WEC 414-780-9RefChem:537976414-780-9609-565-35-HydroxymethylthiazoleThiazol-5-ylmethanol
Weitere Namen anzeigen
5-ylmethanol5-HydroxythiazoleCHEMBRDG-BB 40503545-THIAZOLE METHANOLRARECHEM AL BD 1261Ritonavir Impurity 17
1,3-thiazol-5-ylmethanolThiazole-5-methanolthiazol-5-yl-methanol(1,3-thiazol-5-yl)methanol(thiazol-5-yl)methanolMFCD041157325-hydroxymethyl thiazole5-Thiazolemethanol; (1,3-Thiazol-5-yl)methanol; 5-(Hydroxymethyl)-1,3-thiazole; 5-(Hydroxymethyl)thiazole; Thiazol-5-ylmethanol
Datenbank-Bezeichner
- CAS
38585-74-9- PubChem CID
- 2763216
- DTXSID
DTXSID40376817- UNII
- 73J5JZ943W
- EC Number
- 414-780-9、609-565-3
- Nikkaji
- J674.655A
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 0,1
- Polarare Oberfläche (TPSA)
- 61,4 Ų
- H-Brücken-Donoren
- 1
- H-Brücken-Akzeptoren
- 3
- Frei drehbare Bindungen
- 1
- Schwere Atome
- 7
- Formalladung
- 0
- Komplexität
- 59,7
Physikochemische Eigenschaften
- Siedepunkt
- 95 · 95-96°C 0,02mm
- Dichte
- 1.32 · 1.32
- Dampfdruck
- 1.9 Pa · 1.9Pa at 25℃
- Brechungsindex
- 1.567 to · 1.5670 to 1.5710
- storage temp.
- -20 °C · Inert atmosphere,Store in freezer, under -20°C
- Löslichkeit
- Chloroform, Methanol
- Aggregatzustand
- Oil
- pka
- 13.61 · 13.61±0.10(Predicted)
- Farbe
- Pale-Yellow
- InChI
- 1S/C4H5NOS/c6-2-4-1-5-3-7-4/h1,3,6H,2H2
- InChIKey
- WKBQQWDVVHGWDB-UHFFFAOYSA-N
- SMILES
- OCc1cncs1
- LogP
- -0.17 at · -0.17 at 22℃
- Oberflächenspannung
- 57.8 mN/m · 57.8mN/m at 1.1g/L and 20℃
- CAS Datenbank
- 38585 · 38585-74-9(CAS DataBase Reference)
Sicherheit und Regulatorisches
GHS-Klassifizierung
GHS Classification
Danger
H318: Causes serious eye damage [Danger Serious eye damage/eye irritation]
P264+P265, P273, P280, P305+P354+P338, P317, and P501 (click each P-code to see the statement)
Danger
H318 (96.4%): Causes serious eye damage [Danger Serious eye damage/eye irritation]
P264+P265, P273, P280, P305+P354+P338, P317, and P501 (click each P-code to see the statement)
Gefahrenhinweise
Regulatory InformationStatus: Active Update: 14-02-2013 https://echa.europa.eu/registration-dossier/-/registered-dossier/8707
Hazard Classes and Categories
Eye Dam. 1 (96.4%)
Eye Dam. 1 (100%)
Eye damage - category 1
Eye Dam. 1
Sicherheitsdaten
- wgk
- WGK 3
- hs_code
- 29349990
- risk_code
- 36/37/38-52/53-41-40
- hazard_code
- Xi,Xn
- hazard_note
- Irritant
- safety_code
- 26-36/37/39-61-39-36-22
- Speicherklasse
- 11 - Combustible Solids
- Hazard Classifications
- Eye Dam. 1
Chemie und Industrie
Anwendungen
Verwenden5-Thiazolemethanol (cas# 38585-74-9) is a compound useful in organic synthesis.
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