CAS RN: 89-69-0
2,4,5-Trichloronitrobenzene
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.20250719 | 25g / 100g | Confirm by inquiry | Shanghai | Inquiry |
- Product code: SSC-200803
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: 25g
- 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 |
|---|---|---|---|---|
| 25g | ≥95% | 0 Out of Stock | Hong Kong | Inquiry |
89-69-0 / 1,2,4-trichloro-5-nitrobenzene
Basic Information
CAS
89-69-0
Multi CAS
Yes
Molecular Formula
C6H2CL3NO2
Molecular Weight
226.400000
Exact Mass
224.915111
InChI
InChI=1S/C6H2Cl3NO2/c7-3-1-5(9)6(10(11)12)2-4(3)8/h1-2H
InChIKey
IBRBMZRLVYKVRF-UHFFFAOYSA-N
Physical Properties
Melting Point
135 to 136 °F (NTP, 1992)
Boiling Point
550 °F at 760 mmHg (NTP, 1992)
Density
1.79 at 73 °F (NTP, 1992) - Denser than water; will sink
Physical Description
Prisms or needles in alcohol; yellow powder. (NTP, 1992)
Yellow solid; [CAMEO] Light yellow solid
State
Solid
Computed Properties
Structural Parameters
Heavy atom count
12
Aromatic heavy atom count
6
Rotatable bonds
1
H-bond acceptors
2
Molar refractivity
48.13
TPSA
43.14
LogP / Solubility
WLOGP
3.56
MLOGP
3.13
XLogP3
3.5
Consensus LogP
3.4
Log S (ESOL)
-3.79
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.98
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.2
Class (SILICOS-IT)
Slightly 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)
-1.58
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
