CAS RN: 1121-76-2
4-Chloropyridine N-Oxide
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250706 | 1g / 5g / 25g / 100g / 500g | Confirm by inquiry | Shandong | Inquiry |
- Product code: SSC-012587
Historical Factory Record
Historical Supply Reference
This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.
- Pack sizes on record: 5g
- Available purity: ≥95%
- Inventory rows with stock: 0
- Bulk packaging: confirmed by inquiry
Reference Pack Sizes
Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 5g | ≥95% | 0 Out of Stock | Shenzhen | Inquiry |
1121-76-2 / 4-chloro-1-oxidopyridin-1-ium
4-Chloropyridine N-oxide | 4-Chloropyridine 1-oxide | Pyridine, 4-chloro-, 1-oxide
Basic Information
CAS
1121-76-2
Multi CAS
Yes
Molecular Formula
C5H4ClNO
Molecular Weight
129.540000
Exact Mass
128.998141
SMILES
C1=C[N+](=CC=C1Cl)[O-]
InChI
InChI=1S/C5H4ClNO/c6-5-1-3-7(8)4-2-5/h1-4H
InChIKey
DPJVRASYWYOFSJ-UHFFFAOYSA-N
Synonyms
4-Chloropyridine N-oxide
4-Chloropyridine 1-oxide
Pyridine, 4-chloro-, 1-oxide
DTXSID0041513
NSC-5074
Computed Properties
Structural Parameters
Heavy atom count
8
Aromatic heavy atom count
6
H-bond acceptors
1
Molar refractivity
30.41
TPSA
26.94
LogP / Solubility
WLOGP
0.97
MLOGP
0.85
Consensus LogP
0.61
Log S (ESOL)
-1.81
Class (ESOL)
Soluble
Log S (Ali)
-1.33
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.31
Class (SILICOS-IT)
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)
-2.82
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)
Irritant
Signal
Warning
GHS Hazard Statements
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]
Precautionary Statement Codes
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
