CAS RN: 220141-72-0
3,4,5-Trifluorobenzyl Bromide
Product Availability
Choose a grade to view its available package options.
7 package records7 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250320 | 100g | In stock | Shanghai, Tianjin | Inquiry |
| Batchno.20250712 | 10g | In stock | Shanghai, Tianjin | Inquiry |
| Batchno.20250221 | 1g | In stock | Shanghai, Shenzhen, Tianjin | Inquiry |
| Batchno.20260218 | 1kg | In stock | Shanghai | Inquiry |
| Batchno.20260617 | 25g | In stock | Shanghai | Inquiry |
| Batchno.20260615 | 500g | In stock | Shanghai | Inquiry |
| Batchno.20250828 | 5g | In stock | Shanghai, Shenzhen, Tianjin, Chengdu | Inquiry |
- Product code: SSC-105891
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: 1g, 5g, 10g, 25g, 100g
- Available purity: ≥98%
- Inventory rows with stock: 1
- 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 |
|---|---|---|---|---|
| 1g | ≥98% | 1 In Stock | Beijing | Inquiry |
| 5g | ≥98% | 0 Out of Stock | Shanghai | Inquiry |
| 10g | ≥98% | 0 Out of Stock | Beijing | Inquiry |
| 25g | ≥98% | 0 Out of Stock | Beijing | Inquiry |
| 100g | ≥98% | 0 Out of Stock | Hong Kong | Inquiry |
220141-72-0 / 5-(bromomethyl)-1,2,3-trifluorobenzene
Basic Information
CAS
220141-72-0
Multi CAS
No
Molecular Formula
C7H4BrF3
Molecular Weight
225.010000
Exact Mass
223.944850
SMILES
C1=C(C=C(C(=C1F)F)F)CBr
InChI
InChI=1S/C7H4BrF3/c8-3-4-1-5(9)7(11)6(10)2-4/h1-2H,3H2
InChIKey
MPEKZIYOLQCWLL-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
11
Aromatic heavy atom count
6
Fraction Csp3
0.14
Rotatable bonds
1
H-bond acceptors
3
Molar refractivity
38.95
TPSA
0.0000
LogP / Solubility
WLOGP
3
MLOGP
2.64
XLogP3
2.8
Consensus LogP
2.81
Log S (ESOL)
-3.46
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.57
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.73
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)
-1.96
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
