2-Amino-4-methyl-5-nitropyridine

HCID 243165CAS 21901-40-6

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Grundinformationen

Standard-SMILES: Cc1cc(N)ncc1[N+](=O)[O-]
InChIKey: GRBBNZYMXKTQAI-UHFFFAOYSA-N
Summenformel: C6H7N3O2
Durchschnittliche Molmasse: 153,14 g/mol
Monoisotopische Masse: 153,05382646

Namen und Bezeichner

Bevorzugter Name: 2-Amino-4-methyl-5-nitropyridine
IUPAC: 4-methyl-5-nitropyridin-2-amine
Englischer Name: 2-Amino-5-nitro-4-picoline
Summenformel: C6H7N3O2
Molmasse: 153.14

Namen und Synonyme

2-Amino-4-methyl-5-nitropyridineDTXSID20287770RefChem:464325DTXCID50238917624-887-421901-40-64-methyl-5-nitropyridin-2-amine2-Amino-5-nitro-4-picoline4-Methyl-5-nitro-2-pyridinamine2-AMINO-5-NITRO-4-METHYLPYRIDINEMFCD000106922-PYRIDINAMINE, 4-METHYL-5-NITRO-

Weitere Namen anzeigen

2-Amino-5-nitro-4-picoline,98%2-AMiono-4Methyl-5Nitropyridine2-Amino-4-Mythyl-5-NitroPyridine4-Methyl-5-nitropyridine-2-amine2-Pyridinamine,4-methyl-5-nitro-

4-METHYL-5-NITRO-PYRIDIN-2-YLAMINESCHEMBL474593MLS0026675392-amino-4-methyl-5-nitropyridinHMS3079C144-Methyl-5-nitro-2-pyridinamine #HY-W002060AC-1722

Datenbank-Bezeichner

CAS: 21901-40-6
PubChem CID: 243165
DTXSID: DTXSID20287770
ChEMBL: CHEMBL3187059
EC Number: 624-887-4
Nikkaji: J83.113A

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 0,7
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: 223 · 223-225 °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
Löslichkeit: Soluble in DMSO.
pka: 3.44 · 3.44±0.24(Predicted)
Aggregatzustand: Powder
Farbe: Orange to yellow-brown
BRN: 137695 · 137695
InChI: InChI=1S/C6H7N3O2/c1-4-2-6(7)8-3-5(4)9(10)11/h2-3H,1H3,(H2,7,8)
InChIKey: GRBBNZYMXKTQAI-UHFFFAOYSA-N
SMILES: C1(N)=NC=C([N+]([O-])=O)C(C)=C1
CAS Datenbank: 21901 · 21901-40-6(CAS DataBase Reference)

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 76 reports by companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

Sicherheitsdaten

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

Chemie und Industrie

Anwendungen

Verwenden2-Amino-4-methyl-5-nitropyridine was used in the preparation of matrix mixture required to study new technical developments for the direct tissue analysis of peptides.