CAS RN: 3316-09-4
4-Nitrocatechol
Product Availability
Choose a grade to view its available package options.
14 package records14 with current stock3 grade groups
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20260305 | 100g | In stock | Shanghai, Shenzhen | Inquiry |
| Batchno.20250115 | 10g | In stock | Shanghai, Chengdu | Inquiry |
| Batchno.20251230 | 1kg | In stock | Shanghai | Inquiry |
| Batchno.20260513 | 25g | In stock | Shanghai, Shenzhen, Tianjin | Inquiry |
| Batchno.20260124 | 500g | In stock | Shanghai | Inquiry |
| Batchno.20251130 | 5g | In stock | Shanghai, Shenzhen, Wuhan, Chengdu | Inquiry |
- Product code: SSC-139065
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, 1g, 10g, 25g, 100g
- Available purity: ≥97%
- Inventory rows with stock: 4
- 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 |
|---|---|---|---|---|
| 5g | ≥97% | 4 In Stock | Hong Kong | Inquiry |
| 1g | ≥97% | 2 In Stock | Shenzhen | Inquiry |
| 10g | ≥97% | 2 In Stock | Beijing | Inquiry |
| 25g | ≥97% | 2 In Stock | Beijing | Inquiry |
| 100g | ≥97% | 0 Out of Stock | Shenzhen | Inquiry |
3316-09-4 / 4-nitrobenzene-1,2-diol
Basic Information
CAS
3316-09-4
Multi CAS
Yes
Molecular Formula
C6H5NO4
Molecular Weight
155.110000
Exact Mass
155.021858
InChI
InChI=1S/C6H5NO4/c8-5-2-1-4(7(10)11)3-6(5)9/h1-3,8-9H
InChIKey
XJNPNXSISMKQEX-UHFFFAOYSA-N
Physical Properties
Melting Point
174-176 °C
174 - 176 °C
Physical Description
Solid
State
Solid
Computed Properties
Structural Parameters
Heavy atom count
11
Aromatic heavy atom count
6
Rotatable bonds
1
H-bond acceptors
4
H-bond donors
2
Molar refractivity
36.43
TPSA
83.6
LogP / Solubility
WLOGP
1.01
MLOGP
0.88
XLogP3
1.7
Consensus LogP
1.2
Log S (ESOL)
-1.77
Class (ESOL)
Soluble
Log S (Ali)
-1.56
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.62
Class (SILICOS-IT)
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)
-2.95
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
PAINS alerts
1
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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