4-Methyl-3-nitropyridine

HCID 521828CAS 5832-44-0

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Grundinformationen

Standard-SMILES: Cc1ccncc1[N+](=O)[O-]
InChIKey: JLNRJMGYBKMDGI-UHFFFAOYSA-N
Summenformel: C6H6N2O2
Durchschnittliche Molmasse: 138,12 g/mol
Monoisotopische Masse: 138,04292743

Namen und Bezeichner

Bevorzugter Name: 4-Methyl-3-nitropyridine
IUPAC: 4-methyl-3-nitropyridine
Englischer Name: 4-Methyl-3-nitropyridine
Summenformel: C6H6N2O2
Molmasse: 138.12

Namen und Synonyme

4-Methyl-3-nitropyridine5832-44-0DTXSID70334743RefChem:99778DTXCID20285832628-685-7JLNRJMGYBKMDGI-UHFFFAOYSA-N4-Methyl-3-nitro-pyridine3-Nitro-4-picolineMFCD000518293-NITRO-4-METHYLPYRIDINEPYRIDINE, 4-METHYL-3-NITRO-

Weitere Namen anzeigen

Methyl-3-nitropyridine,4-4-Methyl-3-nitropyridine>4-Methyl-3-nitropyridine 97%4-Methyl-3-nitropyridine,98%Pyridine, 4-methyl-3-nitro- (9CI)4-Methyl-3-nitropyridine ISO 9001：2015 REACH

4-methyl-3-nitro pyridineSCHEMBL319113SCHEMBL1531250SCHEMBL30913354-Methyl-3-nitropyridine, 97%SBB062958AKOS002663658AC-5130

Datenbank-Bezeichner

CAS: 5832-44-0
PubChem CID: 521828
DTXSID: DTXSID70334743
EC Number: 628-685-7
Nikkaji: J843.794G

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 1
Polarare Oberfläche (TPSA): 58,7 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 3
Frei drehbare Bindungen: 0
Schwere Atome: 10
Formalladung: 0
Komplexität: 132

Experimentelle und physikochemische Eigenschaften

SpringerMaterials PropertiesChemical shift

Physikochemische Eigenschaften

Schmelzpunkt: 24 · 24-28 °C
Siedepunkt: 238 °C · 238 °C
Dichte: 1.228 g/mL · 1.228 g/mL at 25 °C
Brechungsindex: 20 · n20/D 1.549
Flammpunkt: 227 °F · 227 °F
storage temp.: Inert atmosphere,Room Temperature
Aggregatzustand: powder to lump to clear liquid
pka: 1.87 · 1.87±0.18(Predicted)
Farbe: White or Colorless to Yellow
BRN: 118796 · 118796
InChI: InChI=1S/C6H6N2O2/c1-5-2-3-7-4-6(5)8(9)10/h2-4H,1H3
InChIKey: JLNRJMGYBKMDGI-UHFFFAOYSA-N
SMILES: C1=NC=CC(C)=C1[N+]([O-])=O
CAS Datenbank: 5832 · 5832-44-0(CAS DataBase Reference)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Danger

H302 (97.8%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P305+P354+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 45 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Hazard Classes and CategoriesAcute Tox. 4 (97.8%)

Sicherheitsdaten

wgk: 3
ridadr: 2810
hs_code: 29333990
risk_code: 22-37/38-41-36/37/38
hazard_code: Xn,T,Xi
hazard_note: Harmful
safety_code: 26-39-36
hazard_class: 6.1
packing_group: III
Speicherklasse: 11 - Combustible Solids
Hazard Classifications: Acute Tox. 4 OralEye Dam. 1Skin Irrit. 2STOT SE 3

Chemie und Industrie

Anwendungen

Verwenden4-Methyl-3-nitropyridine may be used as a starting material in the synthesis of ethyl 6-azaindole-2-carboxylate and also 3-substituted azaindoles.