UCSF

ZINC01680675

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 7th, 2004 10 No

Popular Name: 4-Nitropyridine N-oxide 4-Nitropyridine N-oxide

Find On: PubMed — Wikipedia — Google

CAS Numbers: 1074-98-2 , 1124-33-0 , 130373-86-3 , [1124-33-0]

Download: MOL2 SDF SMILES Flexibase

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Vendors

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) -0.59 3.83 -14.19 0 5 0 71 140.098 1 ↓

Vendor Notes

Note Type Comments Provided By
MP 158 - 160 Enamine Building Blocks
Melting_Point 158-163? Alfa-Aesar
Melting_Point 158-163° Alfa-Aesar
MP 158...160 Enamine Building Blocks
Mp [°C] 159 - 164 Acros Organics
MP 161 TCI
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 95% Fluorochem
Purity 97% APIChem
H phrase H301: Toxic if swallowed; H319: Causes serious eye irritation; H315: Causes skin irritation; H335: May cause respiratory irritation Acros Organics
H phrase H351: Suspected of causing cancer Acros Organics
P phrase P281: Use personal protective equipment as required Acros Organics
P phrase P305 + P351 + P338: IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing; P261: Avoid breathing dust/fume/gas/mist/vapors/spray; P302+ P352: IF ON SKIN: Wash with plenty of soap an Acros Organics
R phrase R25: Toxic if swallowed. Acros Organics
R phrase R25: Toxic if swallowed.; R36/37/38: Irritating to eyes, respiratory system and skin. Acros Organics
S phrase S28A: After contact with skin, wash immediately with plenty of water. Acros Organics
Hazard T: Toxic Acros Organics

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Analogs ( Draw Identity 99% 90% 80% 70% )