CAS RN: 5100-98-1
3-Chloro-2-iodotoluene
Product Availability
Choose a grade to view its available package options.
8 package records8 with current stock2 grade groups
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20260308 | 250mg / 1g / 5g | Confirm by inquiry | Shanghai, Shandong | Inquiry |
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20251107 | 100g | In stock | Shanghai, Shenzhen, Tianjin | Inquiry |
| Batchno.20251005 | 10g | In stock | Shanghai, Tianjin | Inquiry |
| Batchno.20260425 | 1g | In stock | Shanghai, Tianjin | Inquiry |
| Batchno.20251124 | 1kg | In stock | Shanghai | Inquiry |
| Batchno.20260509 | 25g | In stock | Shanghai, Tianjin | Inquiry |
| Batchno.20250601 | 500g | In stock | Shanghai | Inquiry |
| Batchno.20260111 | 5g | In stock | Shanghai | Inquiry |
- Product code: SSC-157777
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: ＞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 |
|---|---|---|---|---|
| 25g | ＞97% | 0 Out of Stock | Beijing | Inquiry |
5100-98-1 / 1-chloro-2-iodo-3-methylbenzene
Basic Information
CAS
5100-98-1
Multi CAS
No
Molecular Formula
C8H6Li
Molecular Weight
252.480000
Exact Mass
251.920280
InChI
InChI=1S/C7H6ClI/c1-5-3-2-4-6(8)7(5)9/h2-4H,1H3
InChIKey
FTGLKPMFTLNUBN-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
9
Aromatic heavy atom count
6
Fraction Csp3
0.14
Molar refractivity
48.91
TPSA
0.0000
LogP / Solubility
WLOGP
3.25
MLOGP
2.87
XLogP3
3.6
Consensus LogP
3.24
Log S (ESOL)
-3.95
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.98
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4
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)
-1.95
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
1.5
