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CAS 1124-33-0 4-Nitropyridine N-Oxide molecular structure lightbox
CAS RN: 1124-33-0

4-Nitropyridine N-Oxide

  • Product code: SSC-012838
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Verified Factory Data

Supply Overview & Packaging Options

Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.

  • Pack sizes on record: 5g, 10g, 25g, 100g
  • Available purity: >97%
  • Inventory rows with stock: 2
  • Bulk packaging: confirmed by inquiry
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Available Pack Sizes & Stock

Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 1124-33-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g >97% 5 In Stock Shanghai Inquiry
10g >97% 1 In Stock Hong Kong Inquiry
25g >97% 0 Out of Stock Shanghai Inquiry
100g >97% 0 Out of Stock Shenzhen Inquiry

1124-33-0 / 4-nitro-1-oxidopyridin-1-ium

4-Nitropyridine N-oxide | 4-Nitropyridine 1-oxide | p-Nitropyridine N-oxide

Standard CAS: 1124-33-0 Multi CAS: Yes
Basic Information Physical Properties Computed Properties Safety & Transport

Basic Information

CAS
1124-33-0
Multi CAS
Yes
Molecular Formula
C5H4N2O3
Molecular Weight
140.100000
Exact Mass
140.022192
SMILES
C1=C[N+](=CC=C1[N+](=O)[O-])[O-]
InChI
InChI=1S/C5H4N2O3/c8-6-3-1-5(2-4-6)7(9)10/h1-4H
InChIKey
RXKNNAKAVAHBNK-UHFFFAOYSA-N
Synonyms
4-Nitropyridine N-oxide 4-Nitropyridine 1-oxide p-Nitropyridine N-oxide PYRIDINE, 4-NITRO-, 1-OXIDE 4-Nitropyridine oxide

Physical Properties

Melting Point
160.5 °C
Physical Description
Pyridine, 4-nitro-, 1-oxide is a solid. (EPA, 1998) Solid; [CAMEO] Crystalline solid
State
Solid

Computed Properties

Structural Parameters

Heavy atom count
10
Aromatic heavy atom count
6
Rotatable bonds
1
H-bond acceptors
3
Molar refractivity
32.06
TPSA
70.08

LogP / Solubility

WLOGP
0.23
MLOGP
0.19
XLogP3
-0.6
Consensus LogP
-0.06
Log S (ESOL)
-1.23
Class (ESOL)
Soluble
Log S (Ali)
-0.87
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.88
Class (SILICOS-IT)
Very soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.41

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

Safety & Transport

Pictogram(s)
Acute Toxic Irritant
Signal
Danger
GHS Hazard Statements
H301 (90%): Toxic if swallowed [Danger Acute toxicity, oral] H315 (98%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (98%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335 (92%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P261, P264, P264+P265, P270, P271, P280, P301+P316, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

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