4-[(4-Bromobenzene)sulfonyl]morpholine

4-((4-Bromophenyl) · 4-(4-BROMOPHENYLSULFONYL)MORPHOLINE · 4-(4-Bromobenzenesulfonyl)morpholine · 4-(4-bromoophenyl sulfonyl)morpholine · 4-[(4-BROMOPHENYL)SULPHONYL]MORPHOLINE · 4-bromo-N-morpholinylbenzenesulfonamide · Morpholine, 4-[(4-bromophenyl)sulfonyl]- · 4-[(4-Bromophenyl)sulphonyl]morpholine98%

https://huagongshe.com/de/chemical/253128

Molekülstruktur von 4-[(4-Bromobenzene)sulfonyl]morpholine

Identifikatoren & physikalische Daten

CAS No.	834-67-3
Summenformel	C10H12BrNO3S
Durchschnittliche Molmasse	306,18 g/mol
Monoisotopische Masse	304,97212634 g/mol
SMILES	O=S(=O)(c1ccc(Br)cc1)N1CCOCC1
InChIKey	JWJRLABLXQZFAR-UHFFFAOYSA-N
PubChem CID	253128
ChEMBL	CHEMBL4552851
EC No.	805-435-7
DTXSID	DTXSID70291448

Chemische & physikalische Eigenschaften

XLogP	1,4
Polarare Oberfläche (TPSA)	55
H-Brücken-Donoren	0
H-Brücken-Akzeptoren	4
Frei drehbare Bindungen	2
Schwere Atome	16
Formalladung	0
Komplexität	313
Schmelzpunkt	140-142
Siedepunkt	415.7±55.0 °C(Predicted)
Dichte	1.594±0.06 g/cm3(Predicted)
Lagerbedingungen	2-8°C
pKa (Säurekonstante)	-7.81±0.20(Predicted)

Sicherheit & Vorschriften

GHS-Einstufung	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, P317, P321, P330, P332+P317, P337+P317, P362+P364, 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	2934999090
Gefahrensymbole	Xi
hazard_note	Irritant