3-Chlor-4-nitrophenol

3-Chlor-4-nitrophenol · Lenvatinib Impurity 44 · Phenol, 3-chloro-4-nitro- · 2-Chloro-4-hydroxynitrobenzene · 3-chloro-4-nitrophenol CAS NO.491-11-2

https://huagongshe.com/de/chemical/10283

Molekülstruktur von 3-Chlor-4-nitrophenol

Identifikatoren & physikalische Daten

CAS No.	491-11-2
Summenformel	C6H4ClNO3
Durchschnittliche Molmasse	173,55 g/mol
Monoisotopische Masse	172,98797067 g/mol
SMILES	O=[N+]([O-])c1ccc(O)cc1Cl
InChIKey	DKTRZBWXGOPYIX-UHFFFAOYSA-N
PubChem CID	10283
EC No.	207-730-0
DTXSID	DTXSID3075416
Lokaler Name	3-Chlor-4-nitrophenol

Chemische & physikalische Eigenschaften

XLogP	2,1
Polarare Oberfläche (TPSA)	66,1
H-Brücken-Donoren	1
H-Brücken-Akzeptoren	3
Frei drehbare Bindungen	0
Schwere Atome	11
Formalladung	0
Komplexität	158
Schmelzpunkt	120-121℃
Siedepunkt	330.5±27.0 °C(Predicted)
Dichte	1.554
Lagerbedingungen	Sealed in dry,Room Temperature
Löslichkeit	DMSO (Slightly), Methanol (Slightly)
Aggregatzustand	Solid
pKa (Säurekonstante)	6.32±0.10(Predicted)
Farbe	Pale Yellow to Light Beige
EPA chemische Informationen	Phenol, 3-chloro-4-nitro- (491-11-2)

Sicherheit & Vorschriften

GHS-Einstufung	This chemical does not meet GHS hazard criteria for 50% (1 of 2) of reports.WarningH302 (50%): 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 2 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 (50%)
Zollcode	2908990000

Anwendungen & Verwendung

Verwenden

3-Chloro-4-nitrophenol was used as a reactant in the synthetic preparation of highly potent BTK and JAK3 dual inhibitors and it may also have antifungal activity.