2-Morpholino-5-nitropyridine

HCID 96872CAS 26820-62-2

Substructure search Find similar structures

Basic information

Standard SMILES: O=[N+]([O-])c1ccc(N2CCOCC2)nc1
InChIKey: FYJXIPHXFGFEGT-UHFFFAOYSA-N
Molecular formula: C9H11N3O3
Average molar mass: 209.2 g/mol
Monoisotopic mass: 209.08004121

Names & identifiers

Preferred name: 2-Morpholino-5-nitropyridine
IUPAC: 4-(5-nitro-2-pyridinyl)morpholine
English name: 4-(5-Nitropyridin-2-yl)morpholine
Molecular formula: C9H11N3O3
Molecular weight: 209.2

Names & synonyms

26820-62-22-Morpholino-5-nitropyridineMorpholine, 4-(5-nitro-2-pyridyl)-DTXSID30181316RefChem:1063870DTXCID40103807683-731-34-(5-nitropyridin-2-yl)morpholine4-(5-nitro-2-pyridinyl)morpholine4-(5-Nitro-2-pyridyl)morpholine4-(5-Nitro-pyridin-2-yl)-morpholineMFCD00023308

Show more names

4-(5-nitro-2-pyridyl)-morpholin2-(4-Morpholinyl)-5-nitropyridine6-(4-Morpholin-1-yl)-3-nitropyridine2-(4-Morpholinyl)-5-nitropyridine, 95%Benzeneaceticacid,7-hydroxy-,ethylester

Morpholine, 4-(5-nitro-2-pyridinyl)-NSC 91094BRN 0225480NSC91094CBMicro_021094Cambridge id 5474476NCIOpen2_005510Oprea1_651990

Database identifiers

CAS: 26820-62-2
PubChem CID: 96872
DTXSID: DTXSID30181316
ChEMBL: CHEMBL1569326
EC Number: 683-731-3
Nikkaji: J41.795E

Properties

Computed structural properties

XLogP: 0.8
Topological polar surface area: 71.2 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 5
Rotatable bonds: 1
Heavy atoms: 15
Formal charge: 0
Complexity: 225

Experimental & physicochemical properties

SpringerMaterials PropertiesChemical shift

Physicochemical properties

Melting point: 112 · 112-114°C
Boiling point: 406.4 · 406.4±45.0 °C(Predicted)
Density: 1.325 · 1.325±0.06 g/cm3(Predicted)
RTECS: 7450000 · QE7450000
storage temp.: Inert atmosphere,Room Temperature
pka: 1.52 · 1.52±0.10(Predicted)
Appearance: Light yellow to green yellow Solid
CAS DataBase Reference: 26820 · 26820-62-2
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319-H335
Precautionary statements: 261 · P261-P280a-P304+P340-P305+P351+P338-P405-P501a
Hazard Codes: Xi
Risk Statements: 36 · 36/37/38
Safety Statements: 22 · 22-26-36/37/39
HazardClass: IRRITANT
HS Code: 2933399990 · 2933399990

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H302 (100%): 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 40 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.