CAS RN: 31643-49-9
4-Nitrophthalonitrile
Product Availability
Choose a grade to view its available package options.
5 package records5 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20251214 | 100g | In stock | Shanghai, Shenzhen, Tianjin | Inquiry |
| Batchno.20250520 | 1kg | In stock | Shanghai, Shenzhen, Chengdu | Inquiry |
| Batchno.20250629 | 25g | In stock | Shanghai, Shenzhen, Tianjin, Wuhan | Inquiry |
| Batchno.20250502 | 500g | In stock | Shanghai, Shenzhen, Tianjin, Chengdu | Inquiry |
| Batchno.20250925 | 5g / 25g / 100g / 500g / 2.5kg | Confirm by inquiry | Shanghai, Shandong, Hebei, Guangdong, Chongqing | Inquiry |
- Product code: SSC-137066
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: 10g, 25g, 5g, 100g, 500g
- Available purity: ≥98%
- Inventory rows with stock: 3
- Bulk packaging: confirmed by inquiry
Available Pack Sizes & Stock
Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 10g | ≥98% | 3 In Stock | Beijing | Inquiry |
| 25g | ≥98% | 2 In Stock | Beijing | Inquiry |
| 5g | ≥98% | 1 In Stock | Shenzhen | Inquiry |
| 100g | ≥98% | 0 Out of Stock | Hong Kong | Inquiry |
| 500g | ≥98% | 0 Out of Stock | Beijing | Inquiry |
31643-49-9 / 4-nitrobenzene-1,2-dicarbonitrile
Basic Information
CAS
31643-49-9
Multi CAS
No
Molecular Formula
C8H3N3O2
Molecular Weight
173.130000
Exact Mass
173.022526
InChI
InChI=1S/C8H3N3O2/c9-4-6-1-2-8(11(12)13)3-7(6)5-10/h1-3H
InChIKey
NTZMSBAAHBICLE-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
13
Aromatic heavy atom count
6
Rotatable bonds
1
H-bond acceptors
4
Molar refractivity
42.53
TPSA
90.72
LogP / Solubility
WLOGP
1.34
MLOGP
1.17
XLogP3
1.2
Consensus LogP
1.24
Log S (ESOL)
-2.03
Class (ESOL)
Moderately soluble
Log S (Ali)
-1.95
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2.02
Class (SILICOS-IT)
Moderately soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.83
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
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