CAS RN: 36823-88-8
4-(Trifluoromethoxy)benzoyl Chloride
Product Availability
Choose a grade to view its available package options.
5 package records5 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20260217 | 100g | In stock | Shanghai | Inquiry |
| Batchno.20260328 | 1g | In stock | Shanghai, Shenzhen | Inquiry |
| Batchno.20251007 | 25g | In stock | Shanghai, Tianjin, Wuhan | Inquiry |
| Batchno.20250130 | 500g | In stock | Shanghai | Inquiry |
| Batchno.20250918 | 5g | In stock | Shanghai, Shenzhen, Tianjin, Wuhan | Inquiry |
- Product code: ICTT2341
- Purity/Analytical Methods: >98.0%(GC)(T)
36823-88-8 / 4-(trifluoromethoxy)benzoyl chloride
Basic Information
CAS
36823-88-8
Multi CAS
No
Molecular Formula
C8H4CLF3O2
Molecular Weight
224.560000
Exact Mass
223.985192
InChI
InChI=1S/C8H4ClF3O2/c9-7(13)5-1-3-6(4-2-5)14-8(10,11)12/h1-4H
InChIKey
ZXKKOFJYPRJFIE-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.12
Rotatable bonds
2
H-bond acceptors
2
Molar refractivity
43.31
TPSA
26.3
LogP / Solubility
WLOGP
2.96
MLOGP
2.61
XLogP3
3.6
Consensus LogP
3.06
Log S (ESOL)
-3.28
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.54
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.82
Class (SILICOS-IT)
Poorly 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)
-1.99
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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