4-Chloro-2-(5-isoxazolyl)phenol

2-(5-Isoxazole)-4-Chlorophenol · 4-CHLORO-2-(5-ISOXAZOLYL)PHENOL · 4-Chloro-2-(isoxazol-5-yl)phenol · 5-Chloro-2-hydroxyphenyl isoxazole · Phenol, 4-chloro-2-(5-isoxazolyl)- · 5-(5-chloro-2-hydroxylphenyl)isoxazole · 5-(5-CHLORO-2-HYDROXYPHENYL)-ISOXAZOLE · 5-(2`-hydroxy-5`-chlorophenyl)isoxazole

https://huagongshe.com/de/chemical/4199500

Molekülstruktur von 4-Chloro-2-(5-isoxazolyl)phenol

Identifikatoren & physikalische Daten

CAS No.	86176-56-9
Summenformel	C9H6ClNO2
Durchschnittliche Molmasse	195,6 g/mol
SMILES	Oc1ccc(Cl)cc1-c1ccno1
InChIKey	AAJXJLYUWKMQNO-UHFFFAOYSA-N
PubChem CID	4199500
ChEMBL	CHEMBL4541308
EC No.	622-284-0
DTXSID	DTXSID30425580

Chemische & physikalische Eigenschaften

XLogP	2,3
Polarare Oberfläche (TPSA)	46,3
H-Brücken-Donoren	1
H-Brücken-Akzeptoren	3
Frei drehbare Bindungen	1
Schwere Atome	13
Formalladung	0
Komplexität	179
Schmelzpunkt	200-204°C
Siedepunkt	354.0±27.0 °C(Predicted)
Dichte	1.386±0.06 g/cm3(Predicted)
pKa (Säurekonstante)	8.30±0.43(Predicted)

Sicherheit & Vorschriften

GHS-Einstufung	WarningH315 (100%): Causes skin irritation [Warning Skin corrosion/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 43 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard Classes and Categories	Skin Irrit. 2 (100%)
Wassergefährdungsklasse (WGK)	3
Zollcode	2934999090
R-Sätze (R)	36/37/38
Gefahrensymbole	Xi
Sicherheitshinweise (S)	26-36
Gefahrenklasse	IRRITANT