4-(1,3-Thiazol-2-yl)phenol

2-(4-chlorophenyl)thiazole · 4-(2-Thiazolyl) · 4-(2-THIAZOLYL)PHENOL · 4-(2-Thiazolyl)phenol8 · 4-(2-Thiazolyl)phenol95% · Phenol, 4-(2-thiazolyl)- · 4-(2-THIAZOLYL)PHENOL 95% · 4-(1,3-Thiazol-2-yl)phenol

https://huagongshe.com/de/chemical/223840

Molekülstruktur von 4-(1,3-Thiazol-2-yl)phenol

Identifikatoren & physikalische Daten

CAS No.	81015-49-8
Summenformel	C9H7NOS
Durchschnittliche Molmasse	177,22 g/mol
Monoisotopische Masse	177,02483484 g/mol
SMILES	Oc1ccc(-c2nccs2)cc1
InChIKey	PXNRJZLHXKIISI-UHFFFAOYSA-N
PubChem CID	223840
ChEMBL	CHEMBL2131269
EC No.	678-944-3
DTXSID	DTXSID601001708

Chemische & physikalische Eigenschaften

XLogP	2,3
Polarare Oberfläche (TPSA)	61,4
H-Brücken-Donoren	1
H-Brücken-Akzeptoren	3
Frei drehbare Bindungen	1
Schwere Atome	12
Formalladung	0
Komplexität	145
Schmelzpunkt	162-165℃
Siedepunkt	348.525±44.00 °C(Press: 760.00 Torr)(predicted)
Dichte	1.305±0.06 g/cm3(Temp: 25 °CPress: 760 Torr)(predicted)
Lagerbedingungen	Store at room temperature
pKa (Säurekonstante)	8.784±0.15(predicted)
InChI	1S/C9H7NOS/c11-8-3-1-7(2-4-8)9-10-5-6-12-9/h1-6,11H
InChIKey	PXNRJZLHXKIISI-UHFFFAOYSA-N
SMILES	[s]1c(ncc1)c2ccc(cc2)O
CAS Datenbank	81015-49-8

Sicherheit & Vorschriften

GHS-Einstufung	WarningH302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]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 5 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard Classes and Categories	Acute Tox. 4 (100%)
Wassergefährdungsklasse (WGK)	WGK 3
Zollcode	2934100090
Lagerklasse	11 - Combustible Solids

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HCID 223840Erstellt: 27. Oktober 2026

4-(1,3-Thiazol-2-yl)phenol

https://huagongshe.com/de/chemical/223840

Identifikatoren & physikalische Daten

CAS No.	81015-49-8
Summenformel	C9H7NOS
Durchschnittliche Molmasse	177,22 g/mol
Monoisotopische Masse	177,02483484 g/mol
SMILES	Oc1ccc(-c2nccs2)cc1
InChIKey	PXNRJZLHXKIISI-UHFFFAOYSA-N
PubChem CID	223840
ChEMBL	CHEMBL2131269
EC No.	678-944-3
DTXSID	DTXSID601001708

Chemische & physikalische Eigenschaften

XLogP	2,3
Polarare Oberfläche (TPSA)	61,4
H-Brücken-Donoren	1
H-Brücken-Akzeptoren	3
Frei drehbare Bindungen	1
Schwere Atome	12
Formalladung	0
Komplexität	145
Schmelzpunkt	162-165℃
Siedepunkt	348.525±44.00 °C(Press: 760.00 Torr)(predicted)
Dichte	1.305±0.06 g/cm3(Temp: 25 °CPress: 760 Torr)(predicted)
Lagerbedingungen	Store at room temperature
pKa (Säurekonstante)	8.784±0.15(predicted)
InChI	1S/C9H7NOS/c11-8-3-1-7(2-4-8)9-10-5-6-12-9/h1-6,11H
InChIKey	PXNRJZLHXKIISI-UHFFFAOYSA-N
SMILES	[s]1c(ncc1)c2ccc(cc2)O
CAS Datenbank	81015-49-8

Sicherheit & Vorschriften

GHS-Einstufung	WarningH302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]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 5 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard Classes and Categories	Acute Tox. 4 (100%)
Wassergefährdungsklasse (WGK)	WGK 3
Zollcode	2934100090
Lagerklasse	11 - Combustible Solids