CAS RN: 2251-65-2
3-(Trifluoromethyl)benzoyl Chloride
Product Availability
Choose a grade to view its available package options.
10 package records8 with current stock3 grade groups
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20250305 | 100g | In stock | Shandong, Chongqing | Inquiry | |
| Batchno.20250626 | 2.5kg | Out of stock | 8-10 business days | Inquiry | |
| Batchno.20260102 | 25g | In stock | Shanghai, Shandong, Chongqing | Inquiry | |
| Batchno.20260228 | 500g | In stock | Shanghai, Chongqing, Hebei | Inquiry | |
| Batchno.20250320 | 5g | In stock | Shanghai, Shandong, Guangdong | Inquiry |
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20260327 | 5g | Out of stock | 8-10 business days | Inquiry |
- Product code: SSC-110079
Verified Factory Data
Supply Overview & Packaging Options
Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.
- Pack sizes on record: 25g, 5g, 100g, 500g
- Available purity: ≥98%
- Inventory rows with stock: 3
- Bulk packaging: confirmed by inquiry
Available Pack Sizes & Stock
Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.
2251-65-2 / 3-(trifluoromethyl)benzoyl chloride
Basic Information
CAS
2251-65-2
Multi CAS
No
Molecular Formula
C8H4ClF3O
Molecular Weight
208.560000
Exact Mass
207.990277
SMILES
C1=CC(=CC(=C1)C(F)(F)F)C(=O)Cl
InChI
InChI=1S/C8H4ClF3O/c9-7(13)5-2-1-3-6(4-5)8(10,11)12/h1-4H
InChIKey
RUJYJCANMOTJMO-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.12
Rotatable bonds
1
H-bond acceptors
1
Molar refractivity
41.63
TPSA
17.07
LogP / Solubility
WLOGP
3.08
MLOGP
2.72
XLogP3
3.9
Consensus LogP
3.23
Log S (ESOL)
-3.35
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.5
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.7
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)
-1.8
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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