CAS 31594-45-3 2-Ethoxy-5-nitropyridine (HCID 295864)

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Basic information

CAS: 31594-45-3
Standard SMILES: CCOc1ccc([N+](=O)[O-])cn1
InChIKey: LYDVDLYMQVSLQD-UHFFFAOYSA-N
Molecular formula: C7H8N2O3
Average molar mass: 168.15 g/mol
Monoisotopic mass: 168.05349212

Names & identifiers

Preferred name: 2-Ethoxy-5-nitropyridine
IUPAC: 2-ethoxy-5-nitropyridine
English name: 2-Ethoxy-5-nitropyridine
Molecular formula: C7H8N2O3
Molecular weight: 168.15

Names & synonyms

2-Ethoxy-5-nitropyridine31594-45-3DTXSID50304343RefChem:86829DTXCID80255475608-647-6LYDVDLYMQVSLQD-UHFFFAOYSA-NMFCD016461812-(ethyloxy)-5-(nitro)pyridine2-Ethoxy-5-nitro-pyridinePyridine, 2-ethoxy-5-nitro-NSC165481

Show more names

2-Ethoxy-5-nitropyridine>2-ETHOXY-5-NITROPYRIDINE 98%2-Ethoxy-5-nitropyridine ISO 9001：2015 REACH

2-ethyoxy-5-nitropyridineSCHEMBL66432352-Ethoxy-5-nitropyridine, 98%SBB055688AKOS005257668AB09600AC-8284CS-W017814

Database identifiers

CAS: 31594-45-3
PubChem CID: 295864
DTXSID: DTXSID50304343
EC Number: 608-647-6
Nikkaji: J1.936.533F

Properties

Computed structural properties

XLogP: 1.9
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

Physicochemical properties

Melting point: 90 · 90-94 °C(lit.)
Boiling point: 272.3 · 272.3±20.0 °C(Predicted)
Density: 1.245 · 1.245±0.06 g/cm3(Predicted)
storage temp.: Inert atmosphere,Room Temperature
form: powder to crystal
pka: 0 · 0.00±0.22(Predicted)
color: White to Light yellow
CAS DataBase Reference: 31594 · 31594-45-3(CAS DataBase Reference)
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319-H335
Precautionary statements: 261 · P261-P305+P351+P338
Hazard Codes: Xi
Risk Statements: 36 · 36/37/38
Safety Statements: 26 · 26-36
WGK Germany: 3 · 3

Safety & regulation

GHS classification

GHS Classification · 4 items

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 40 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.