2-Methoxy-5-nitropyridine

HCID 79525CAS 5446-92-4

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Basic information

Standard SMILES: COc1ccc([N+](=O)[O-])cn1
InChIKey: WUPLOZFIOAEYMG-UHFFFAOYSA-N
Molecular formula: C6H6N2O3
Average molar mass: 154.12 g/mol
Monoisotopic mass: 154.03784206

Names & identifiers

Preferred name: 2-Methoxy-5-nitropyridine
IUPAC: 2-methoxy-5-nitropyridine
English name: 2-Methoxy-5-nitropyridine
Molecular formula: C6H6N2O3
Molecular weight: 154.12

Names & synonyms

2-Methoxy-5-nitropyridine5446-92-46-methoxy-3-nitropyridineEINECS 226-661-7DTXSID80202868NSC 5555RefChem:474466DTXCID10125359226-661-7InChI=1/C6H6N2O3/c1-11-6-3-2-5(4-7-6)8(9)10/h2-4H,1HPyridine, 2-methoxy-5-nitro-2-methoxy-5-nitro-pyridine

Show more names

5-NITRO-2-METHOXY PYRIDINEPyridine,2-methoxy-5-nitro-METHOXY(2-)-5-NITROPYRIDINE2-Methoxy-5-nitropyridine>2-Methoxy-5-nitropyridine 97%2-Methoxy-5-nitropyridine,97%2-Methoxy-5-nitropyridine ,99%2-Methoxy-5-nitropyridine 5446-92-4

MFCD000062635-nitro-2-methoxypyridineNSC5555SCHEMBL513103SCHEMBL1851173SCHEMBL28662336SCHEMBL308506672-Methoxy-5-nitropyridine, 97%

Database identifiers

CAS: 5446-92-4
PubChem CID: 79525
DTXSID: DTXSID80202868
EC Number: 226-661-7
Nikkaji: J149.914I

Properties

Computed structural properties

XLogP: 1.6
Topological polar surface area: 67.9 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 4
Rotatable bonds: 1
Heavy atoms: 11
Formal charge: 0
Complexity: 145

Physicochemical properties

Melting point: 104 · 104-108 °C(lit.)
Boiling point: 277.46 °C · 277.46°C (rough estimate)
Density: 0.45 · 0.45
refractive index: 1.51 · 1.5100 (estimate)
Flash point: 130 °C · 130 °C
storage temp.: Sealed in dry,Room Temperature
pka: 0 · -0+-.0.10(Predicted)
form: Liquid
color: Clear colorless to yellow
Water Solubility: insoluble
BRN: 126991 · 126991
InChI: InChI=1S/C6H6N2O3/c1-11-6-3-2-5(4-7-6)8(9)10/h2-4H,1H3
InChIKey: WUPLOZFIOAEYMG-UHFFFAOYSA-N
SMILES: C1(OC)=NC=C([N+]([O-])=O)C=C1
CAS DataBase Reference: 5446 · 5446-92-4(CAS DataBase Reference)
UNSPSC Code: 12352100 · 12352100
NACRES: 22 · NA.22
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319-H335
Precautionary statements: 261 · P261-P264-P271-P280-P302+P352-P305+P351+P338
target organs: Respiratory system
PPE: 95 · dust mask type N95 (US), Eyeshields, Gloves
Hazard Codes: Xi
Risk Statements: 36 · 36/37/38
Safety Statements: 26 · 26-37/39-36
WGK Germany: 3 · 3
HazardClass: IRRITANT
HS Code: 29333990 · 29333990
Storage Class: 11 · 11 - Combustible Solids
Hazard Classifications: 2 Skin · Eye Irrit. 2Skin Irrit. 2STOT SE 3