CAS RN: 601-88-7
1,3-Dichloro-2-nitrobenzene
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20251217 | 5g / 25g / 100g / 500g | Confirm by inquiry | Shanghai, Shandong, Chongqing | 8-10 business days | Inquiry |
- Product code: SSC-168680
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: 100g
- Available purity: ＞97%
- 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 |
|---|---|---|---|---|
| 100g | ＞97% | 0 Out of Stock | Hong Kong | Inquiry |
601-88-7 / 1,3-dichloro-2-nitrobenzene
Basic Information
CAS
601-88-7
Multi CAS
Yes
Molecular Formula
C6H3CL2NO2
Molecular Weight
192.000000
Exact Mass
190.954084
InChI
InChI=1S/C6H3Cl2NO2/c7-4-2-1-3-5(8)6(4)9(10)11/h1-3H
InChIKey
VITSNECNFNNVQB-UHFFFAOYSA-N
Physical Properties
Melting Point
72.5 °C
Boiling Point
at 1.1kPa: 130 °C
Density
Relative density (water = 1): 1.6
Physical Description
CRYSTALS.
State
Solid
Computed Properties
Structural Parameters
Heavy atom count
11
Aromatic heavy atom count
6
Rotatable bonds
1
H-bond acceptors
2
Molar refractivity
43.12
TPSA
43.14
LogP / Solubility
WLOGP
2.9
MLOGP
2.55
XLogP3
3
Consensus LogP
2.82
Log S (ESOL)
-3.2
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.23
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.44
Class (SILICOS-IT)
Poorly 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)
-1.83
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
