CAS RN: 515-84-4
Ethyl Trichloroacetate
Product Availability
Choose a grade to view its available package options.
4 package records3 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20260209 | 100g | In stock | Shanghai, Shandong | Inquiry | |
| Batchno.20250829 | 2.5kg | Out of stock | 8-10 business days | Inquiry | |
| Batchno.20251223 | 25g | In stock | Shanghai, Shandong, Chongqing, Hebei | Inquiry | |
| Batchno.20251019 | 500g | In stock | Shanghai, Shandong, Guangdong | Inquiry |
- Product code: SSC-158363
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 | Shanghai | Inquiry |
515-84-4 / ethyl 2,2,2-trichloroacetate
Basic Information
CAS
515-84-4
Multi CAS
No
Molecular Formula
C4H5CL3O2
Molecular Weight
191.440000
Exact Mass
189.935512
InChI
InChI=1S/C4H5Cl3O2/c1-2-9-3(8)4(5,6)7/h2H2,1H3
InChIKey
SJMLNDPIJZBEKY-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
9
Fraction Csp3
0.75
Rotatable bonds
1
H-bond acceptors
2
Molar refractivity
36.92
TPSA
26.3
LogP / Solubility
WLOGP
1.92
MLOGP
1.69
XLogP3
2.4
Consensus LogP
2
Log S (ESOL)
-2.17
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.52
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.62
Class (SILICOS-IT)
Moderately 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)
-2.52
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
