2-Amino-4-methyl-3-nitropyridine

HCID 243166CAS 6635-86-5

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Grundinformationen

Standard-SMILES: Cc1ccnc(N)c1[N+](=O)[O-]
InChIKey: IKMZGACFMXZAAT-UHFFFAOYSA-N
Summenformel: C6H7N3O2
Durchschnittliche Molmasse: 153,14 g/mol
Monoisotopische Masse: 153,05382646

Überblick

structure in first source

Namen und Bezeichner

Bevorzugter Name: 2-Amino-4-methyl-3-nitropyridine
IUPAC: 4-methyl-3-nitropyridin-2-amine
Englischer Name: 2-Amino-3-nitro-4-picoline
Summenformel: C6H7N3O2
Molmasse: 153.14

Namen und Synonyme

2-Amino-4-methyl-3-nitropyridine6635-86-5DTXSID80287771RefChem:464324DTXCID10238918626-702-24-methyl-3-nitropyridin-2-amine2-Amino-3-nitro-4-picoline2-Pyridinamine, 4-methyl-3-nitro-4-methyl-3-nitro-pyridin-2-ylamineMFCD000063154-methyl-3-nitro-pyridin-2-amine

Weitere Namen anzeigen

NSC 52453TIMTEC-BB SBB0066364-METHYL-3-NITRO-PYRI2-AMino-4-Methyl-3-nitrop...2-Amino-3-nitro-4-picoline,98%4-Methyl-3-nitro-2-pyridinamine2-amin-3-nitro-4-methylpyridine3-Nitro-4-methyl-2-pyridinamine

CHEMBL39817274-methyl-3-nitro-2-pyridylamine4-Methyl-3-nitropyridine-2-amineAKOS0051455942-Amino-3-Nitro-4-Methylpyridine2-amino-4-methyl-3-nitro-pyridine2-amino-4-methyl-3-nitro pyridine4mrz

Datenbank-Bezeichner

CAS: 6635-86-5
PubChem CID: 243166
DTXSID: DTXSID80287771
ChEMBL: CHEMBL3981727
EC Number: 626-702-2
Nikkaji: J2.876.092B、J81.259E

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 1,2
Polarare Oberfläche (TPSA): 84,7 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 4
Frei drehbare Bindungen: 0
Schwere Atome: 11
Formalladung: 0
Komplexität: 156

Physikochemische Eigenschaften

Schmelzpunkt: 136 · 136-140 °C(lit.)
Siedepunkt: 276.04 °C · 276.04°C (rough estimate)
Dichte: 1.3682 · 1.3682 (rough estimate)
Brechungsindex: 1.65 · 1.6500 (estimate)
storage temp.: Keep in dark place,Inert atmosphere,Room temperature
Aggregatzustand: Crystalline Powder
pka: 2.97 · 2.97±0.47(Predicted)
Farbe: Yellow
BRN: 139111 · 139111
InChI: InChI=1S/C6H7N3O2/c1-4-2-3-8-6(7)5(4)9(10)11/h2-3H,1H3,(H2,7,8)
InChIKey: IKMZGACFMXZAAT-UHFFFAOYSA-N
SMILES: C1(N)=NC=CC(C)=C1[N+]([O-])=O
CAS Datenbank: 6635 · 6635-86-5(CAS DataBase Reference)
NIST chemische Informationen: 2 · Pyridine, 2-amino-3-nitro-4-methyl-(6635-86-5)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 46 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

Sicherheitsdaten

F: 10
wgk: 3
hs_code: 29333999
risk_code: 36/37/38-20/21/22
hazard_code: Xi,Xn
safety_code: 26-36-36/37/39-22
hazard_class: IRRITANT
Speicherklasse: 11 - Combustible Solids
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3

Chemie und Industrie

Anwendungen · 1 Eintrag

Verwenden2-Amino-4-methyl-3-nitropyridine was used in the synthesis of 2-amino-5-hydroxy-4-methyl-3-nitropyridine, 2-amino-4-hydroxymethyl-3-nitropyridine and 2-amino-4-methyl-3-nitropyridine-1-oxide by undergoing biotransformation by Cunninghamella elegans ATCC 26269.