2-Methyl-3-nitropyridine

3-NITROPICOLINE · 3-NITRO-2-PICOLINE · 2-Methyl-3-nitropyri · 2-METHYL-3-NITROPYRIDINE · 3-NITRO-2-METHYLPYRIDINE · 2-Methxy-3-nitropyridine · Pyridine, 2-Methyl-3-nitro- · 2-METHYL-3-NITROPYRIDINE 95%

https://huagongshe.com/de/chemical/329360

Molekülstruktur von 2-Methyl-3-nitropyridine

Identifikatoren & physikalische Daten

CAS No.	18699-87-1
Summenformel	C6H6N2O2
Durchschnittliche Molmasse	138,12 g/mol
Monoisotopische Masse	138,04292743 g/mol
SMILES	Cc1ncccc1[N+](=O)[O-]
InChIKey	CCFGTKQIRWHYTB-UHFFFAOYSA-N
PubChem CID	329360
EC No.	805-108-9
DTXSID	DTXSID10317136

Chemische & physikalische Eigenschaften

XLogP	1,1
Polarare Oberfläche (TPSA)	58,7
H-Brücken-Donoren	0
H-Brücken-Akzeptoren	3
Frei drehbare Bindungen	0
Schwere Atome	10
Formalladung	0
Komplexität	132
SpringerMaterials Properties	Chemical shift
Schmelzpunkt	32-33°
Siedepunkt	86°C/5mmHg(lit.)
Dichte	1.246±0.06 g/cm3(Predicted)
Lagerbedingungen	under inert gas (nitrogen or Argon) at 2-8°C
Löslichkeit	soluble in Methanol
Aggregatzustand	powder to lump
pKa (Säurekonstante)	1.92±0.10(Predicted)
Farbe	Light yellow to Brown
InChI	InChI=1S/C6H6N2O2/c1-5-6(8(9)10)3-2-4-7-5/h2-4H,1H3
InChIKey	CCFGTKQIRWHYTB-UHFFFAOYSA-N
SMILES	C1(C)=NC=CC=C1[N+]([O-])=O
CAS Datenbank	18699-87-1(CAS DataBase Reference)

Sicherheit & Vorschriften

GHS-Einstufung	WarningH302+H332 (33.3%): Harmful if swallowed or if inhaled [Warning Acute toxicity, oralacute toxicity, inhalation]P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, 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 3 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard Classes and Categories	Acute Tox. 4 (33.3%)
Zollcode	2933399990
R-Sätze (R)	22
Gefahrensymbole	Xn
Gefahrenklasse	IRRITANT

Anwendungen & Verwendung

Verwenden

2-Methyl-3-nitropyridine is used as a starting reagent to synthesize 3-substituted-4 or 6-azaindoles, and is also used as a reagent to prepare 3-azaindolyl-4-arylmalemides (compounds that exhibit antiproliferative activity).