3-Bromo-5-(methylsulfonyl)pyridine

3-Bromo-5-(methylsulfonyl)pyridine · 3-Bromo-5-(methylsulfonyl) · 5-Bromo-3-methylsulfonylpyridine · 3-Bromo-5-(methylsulphonyl)pyridine · 5-Bromopyridin-3-yl methyl sulphone · Pyridine, 3-bromo-5-(methylsulfonyl)- · 3-Bromo-5-(methylsulphonyl)pyridine98% · 3-Bromo-5-(methylsulphonyl)pyridine 98%

https://huagongshe.com/de/chemical/22391981

Molekülstruktur von 3-Bromo-5-(methylsulfonyl)pyridine

Identifikatoren & physikalische Daten

CAS No.	445491-71-4
Summenformel	C6H6BrNO2S
Durchschnittliche Molmasse	236,09 g/mol
Monoisotopische Masse	234,93026 g/mol
SMILES	CS(=O)(=O)c1cncc(Br)c1
InChIKey	CNAIMMQZMLBREW-UHFFFAOYSA-N
PubChem CID	22391981
EC No.	689-892-6
DTXSID	DTXSID20625390

Chemische & physikalische Eigenschaften

XLogP	0,8
Polarare Oberfläche (TPSA)	55,4
H-Brücken-Donoren	0
H-Brücken-Akzeptoren	3
Frei drehbare Bindungen	1
Schwere Atome	11
Formalladung	0
Komplexität	221
Siedepunkt	381.6±42.0 °C(Predicted)
Dichte	1.678±0.06 g/cm3(Predicted)
Lagerbedingungen	Keep in dark place,Inert atmosphere,Room temperature
pKa (Säurekonstante)	-0.67±0.20(Predicted)
Aggregatzustand	solid
Farbe	Off white
InChI	InChI=1S/C6H6BrNO2S/c1-11(9,10)6-2-5(7)3-8-4-6/h2-4H,1H3
InChIKey	CNAIMMQZMLBREW-UHFFFAOYSA-N
SMILES	C1=NC=C(S(C)(=O)=O)C=C1Br

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, 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	Skin Irrit. 2 (100%)
Zollcode	2933399990
Gefahrensymbole	Xi