4-Ethoxy-3-nitropyridine

HCID 356305

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Basic information

CAS: 1796-84-5
Standard SMILES: CCOc1ccncc1[N+](=O)[O-]
InChIKey: ABOSMHRLVUWEMT-UHFFFAOYSA-N
Molecular formula: C7H8N2O3
Average molar mass: 168.15 g/mol
Monoisotopic mass: 168.05349212

Names & identifiers

Preferred name: 4-Ethoxy-3-nitropyridine
IUPAC: 4-ethoxy-3-nitropyridine
English name: 4-Ethoxy-3-nitropyridine
Molecular formula: C7H8N2O3
Molecular weight: 168.15

Names & synonyms

4-Ethoxy-3-nitropyridine1796-84-53-Nitro-4-ethoxypyridineDTXSID30326725RefChem:98830DTXCID20277838605-864-8ABOSMHRLVUWEMT-UHFFFAOYSA-NPyridine, 4-ethoxy-3-nitro-4-ethoxy-3-nitro-pyridineMFCD00234959SCHEMBL3488943

Show more names

4-Ethoxy-3-Nitroyridine4-Ethoxy-3-nitropyridine>4-ETHOXY-3-NITRO PRYIDINE 98+%4-ethoxy-3-nitropyridine(SALTDATA: HCl)4-Ethoxy-3-nitropyridine ISO 9001：2015 REACH4-ETHOXY-3-NITROPYRIDINE 4-ETHOXY-3-NITROPYRIDINE

NSC611545DS-111834-Ethoxy-3-(hydroxy(oxido)amino)pyridineE09424-Ethoxy-3-Nitro PyridineFT-0633846Pyridine, 4-ethoxy-3-nit4-(ethyloxy)-3-nitropyridine

Database identifiers

CAS: 1796-84-5
PubChem CID: 356305
DTXSID: DTXSID30326725
ChEMBL: CHEMBL1998450
EC Number: 605-864-8
Nikkaji: J1.025.499J

Properties

Computed structural properties

XLogP: 1
Topological polar surface area: 67.9 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 4
Rotatable bonds: 2
Heavy atoms: 12
Formal charge: 0
Complexity: 157

Experimental & physicochemical properties

SpringerMaterials PropertiesChemical shift

Physicochemical properties

Melting point: 47 to · 47.0 to 51.0 °C
Boiling point: 287.5 · 287.5±20.0 °C(Predicted)
Density: 1.245 · 1.245±0.06 g/cm3(Predicted)
storage temp.: Inert atmosphere,Room Temperature
solubility: soluble in Methanol
form: powder to crystal
pka: 2.5 · 2.50±0.18(Predicted)
color: Light orange to Yellow to Green
InChI: InChI=1S/C7H8N2O3/c1-2-12-7-3-4-8-5-6(7)9(10)11/h3-5H,2H2,1H3
InChIKey: ABOSMHRLVUWEMT-UHFFFAOYSA-N
SMILES: C1=NC=CC(OCC)=C1[N+]([O-])=O
CAS DataBase Reference: 1796 · 1796-84-5(CAS DataBase Reference)
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319
Precautionary statements: 264 · P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313
Hazard Codes: Xn
Risk Statements: 22 · 22
HS Code: 2933399990 · 2933399990

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

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

P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, and P362+P364 (click each P-code to see the statement)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

Hazard information

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

Safety data

hs_code: 2933399990
risk_code: 22
Signal word: Warning
Symbol(GHS): GHS07
hazard_code: Xn
Hazard statements: H315-H319
Precautionary statements: P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313