CAS RN: 606-21-3
2-Chloro-1,3-dinitrobenzene
Product Availability
Choose a grade to view its available package options.
9 package records6 with current stock4 grade groups
- Product code: SSC-169205
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: 1g, 0.25g, 5g, 10g, 25g, 100g
- 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 |
|---|---|---|---|---|
| 1g | >98% | 5 In Stock | Shanghai | Inquiry |
| 0.25g | >98% | 4 In Stock | Shenzhen | Inquiry |
| 5g | >98% | 2 In Stock | Shenzhen | Inquiry |
| 10g | >98% | 0 Out of Stock | Shanghai | Inquiry |
| 25g | >98% | 0 Out of Stock | Hong Kong | Inquiry |
| 100g | >98% | 0 Out of Stock | Beijing | Inquiry |
606-21-3 / 2-chloro-1,3-dinitrobenzene
Basic Information
CAS
606-21-3
Multi CAS
No
Molecular Formula
C6H3CLN2O4
Molecular Weight
202.550000
Exact Mass
201.978134
InChI
InChI=1S/C6H3ClN2O4/c7-6-4(8(10)11)2-1-3-5(6)9(12)13/h1-3H
InChIKey
BPPMIQPXQVIZNJ-UHFFFAOYSA-N
Physical Properties
Melting Point
86-87 °C
Boiling Point
315 °C
Density
1.6867 g/ml @ 16.5 °C
Physical Description
Yellow solid; [Merck Index] Yellow crystals
Appearance
Yellow crystals from benzene
State
Solid
Computed Properties
Structural Parameters
Heavy atom count
13
Aromatic heavy atom count
6
Rotatable bonds
2
H-bond acceptors
4
Molar refractivity
44.76
TPSA
86.28
LogP / Solubility
WLOGP
2.16
MLOGP
1.9
XLogP3
1.8
Consensus LogP
1.95
Log S (ESOL)
-2.66
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.78
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.01
Class (SILICOS-IT)
Poorly 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)
-2.42
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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