CAS RN: 117-18-0
2,3,5,6-Tetrachloronitrobenzene
Product Availability
Choose a grade to view its available package options.
3 package records3 with current stock3 grade groups
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20260626 | 1.2ml | In stock | Inquiry |
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20251031 | 1.2ml | In stock | Inquiry |
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250308 | 250mg / 1g / 5g / 25g | Confirm by inquiry | Shanghai, Shandong, Hebei | Inquiry |
- Product code: SSC-016823
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: 0.1g, 0.25g, 1g, 5g
- 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.
117-18-0 / 1,2,4,5-tetrachloro-3-nitrobenzene
TECNAZENE | 1,2,4,5-Tetrachloro-3-nitrobenzene | 2,3,5,6-Tetrachloronitrobenzene
Basic Information
CAS
117-18-0
Multi CAS
Yes
Molecular Formula
C6HCl4NO2
Molecular Weight
260.900000
Exact Mass
260.873189
SMILES
C1=C(C(=C(C(=C1Cl)Cl)[N+](=O)[O-])Cl)Cl
InChI
InChI=1S/C6HCl4NO2/c7-2-1-3(8)5(10)6(4(2)9)11(12)13/h1H
InChIKey
XQTLDIFVVHJORV-UHFFFAOYSA-N
Synonyms
TECNAZENE
1,2,4,5-Tetrachloro-3-nitrobenzene
2,3,5,6-Tetrachloronitrobenzene
Myfusan
Tecnazen
Physical Properties
Melting Point
210 to 212 °F (NTP, 1992)
99.5 °C
99 °C
Boiling Point
579 °F at 760 mmHg (NTP, 1992)
304 °C (with decomp)
Density
1.744 (NTP, 1992) - Denser than water; will sink
1.744 at 25 °C/4 °C
Physical Description
2,3,5,6-tetrachloronitrobenzene appears as pale yellow crystals. (NTP, 1992)
Colorless odorless solid; [HSDB] Pale yellow solid; [CAMEO] Cream to pale brown solid;
Solid
Appearance
Colorless crystals
State
Solid
Storage Conditions
STORAGE PRECAUTIONS: You should store this material in a refrigerator. (NTP, 1992)
Store in a refrigerator, or in a cool, dry place.
Computed Properties
Structural Parameters
Heavy atom count
13
Aromatic heavy atom count
6
Rotatable bonds
1
H-bond acceptors
2
Molar refractivity
53.14
TPSA
43.14
LogP / Solubility
WLOGP
4.21
MLOGP
3.71
XLogP3
3.9
Consensus LogP
3.94
Log S (ESOL)
-4.38
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.74
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.97
Class (SILICOS-IT)
Slightly 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)
-1.32
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
Safety & Transport
Pictogram(s)
Irritant
Environmental Hazard
Signal
Warning
GHS Hazard Statements
H302: Harmful if swallowed [Warning Acute toxicity, oral]
H317: May cause an allergic skin reaction [Warning Sensitization, Skin]
H400: Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard]
H410: Very toxic to aquatic life with long lasting effects [Warning Hazardous to the aquatic environment, long-term hazard]
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement Codes
P261, P264, P270, P272, P273, P280, P301+P317, P302+P352, P321, P330, P333+P317, P362+P364, P391, and P501
