CAS RN: 21742-00-7
2-(Trifluoromethyl)benzyl Chloride
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20260323 | 1g / 5g / 25g / 100g / 500g | Confirm by inquiry | Shanghai, Shandong | Inquiry |
- Product code: SSC-105010
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: 10g, 25g, 5g, discontinued
- Available purity: >97%
- Inventory rows with stock: 4
- 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.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 10g | -- | 4 In Stock | Shenzhen | Inquiry |
| 10g | >97% | 4 In Stock | Shanghai | Inquiry |
| 25g | -- | 2 In Stock | Shanghai | Inquiry |
| 25g | >97% | 2 In Stock | Hong Kong | Inquiry |
| 5g | -- | 0 Out of Stock | Shanghai | Inquiry |
| 5g | >97% | 0 Out of Stock | Hong Kong | Inquiry |
| discontinued | -- | 0 Out of Stock | Hong Kong | Inquiry |
21742-00-7 / 1-(chloromethyl)-2-(trifluoromethyl)benzene
Basic Information
CAS
21742-00-7
Multi CAS
No
Molecular Formula
C8H6ClF3
Molecular Weight
194.580000
Exact Mass
194.011012
SMILES
C1=CC=C(C(=C1)CCl)C(F)(F)F
InChI
InChI=1S/C8H6ClF3/c9-5-6-3-1-2-4-7(6)8(10,11)12/h1-4H,5H2
InChIKey
BBXDMCQDLOCXRA-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.25
Rotatable bonds
1
H-bond acceptors
3
Molar refractivity
41
TPSA
0.0000
LogP / Solubility
WLOGP
3.44
MLOGP
3.03
XLogP3
3.2
Consensus LogP
3.22
Log S (ESOL)
-3.52
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.64
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.9
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)
-1.46
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
