CAS 20265-37-6 3-Methoxy-2-nitropyridine (HCID 556063)

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Basic information

CAS: 20265-37-6
Standard SMILES: COc1cccnc1[N+](=O)[O-]
InChIKey: LSXHCFSGOBFNDX-UHFFFAOYSA-N
Molecular formula: C6H6N2O3
Average molar mass: 154.12 g/mol
Monoisotopic mass: 154.03784206

Names & identifiers

Preferred name: 3-Methoxy-2-nitropyridine
IUPAC: 3-methoxy-2-nitropyridine
English name: 3-Methoxy-2-nitropyridine
Molecular formula: C6H6N2O3
Molecular weight: 154.12

Names & synonyms

3-Methoxy-2-nitropyridine20265-37-6DTXSID70339415RefChem:503080DTXCID70290496606-480-32-Nitro-3-methoxypyridine3-methoxy-2-nitro-pyridineMFCD002222763-methoxy-2-nitropyridinPYRIDINE, 3-METHOXY-2-NITRO-2-Nitro-2-methoxypyridine

Show more names

3M2NPmethoxynitropyridineMethoxy-2-nitropyridMethoxy-2-nitropyridine3-METHOXYL-2-NITROPYRIDINE3-Methoxy-2-nitropyridine>Pyridine, 3-methoxy-2-nitro-3-Methoxy-2-nitropyridine 99%

SCHEMBL84373-Methoxy-2-nitropyridine #3-(methyloxy)-2-nitropyridineSCHEMBL8789338SCHEMBL252880453-Methoxy-2-nitropyridine, 98%BBL009976SBB055722

Database identifiers

CAS: 20265-37-6
PubChem CID: 556063
DTXSID: DTXSID70339415
EC Number: 606-480-3

Properties

Computed structural properties

XLogP: 0.7
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: 73 · 73-76 °C (lit.)
Boiling point: 311.8 · 311.8±22.0 °C(Predicted)
Density: 1.3 · 1.300±0.06 g/cm3(Predicted)
storage temp.: Inert atmosphere,Room Temperature
form: powder to crystal
pka: -6.34 · -6.34±0.10(Predicted)
color: White to Yellow to Green
InChI: InChI=1S/C6H6N2O3/c1-11-5-3-2-4-7-6(5)8(9)10/h2-4H,1H3
InChIKey: QRCUQLANPHYVEH-UHFFFAOYSA-N
SMILES: C1([N+]([O-])=O)=NC=CC=C1OC
CAS DataBase Reference: 20265 · 20265-37-6(CAS DataBase Reference)
UNSPSC Code: 12352100 · 12352100
NACRES: 22 · NA.22
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319-H335

Safety & regulation

GHS classification

GHS Classification · 5 items

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (97.7%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract 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 43 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.