CAS RN: 702641-06-3
2-Iodo-5-(trifluoromethyl)benzyl bromide
Product Availability
Choose a grade to view its available package options.
5 package records4 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20251116 | 10g | In stock | Shanghai | Inquiry | |
| Batchno.20260219 | 1g | In stock | Shanghai | Inquiry | |
| Batchno.20260527 | 250mg | In stock | Shanghai | Inquiry | |
| Batchno.20250801 | 250mg / 1g | Out of stock | 8-10 business days | Inquiry | |
| Batchno.20250712 | 5g | In stock | Shanghai | Inquiry |
- Product code: SSC-180073
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: 5g
- 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 |
|---|---|---|---|---|
| 5g | ＞97% | 0 Out of Stock | Beijing | Inquiry |
702641-06-3 / 1-(bromomethyl)-2-iodo-4-(trifluoromethyl)benzene
Basic Information
CAS
702641-06-3
Multi CAS
Yes
Molecular Formula
BC8H5IRf3
Molecular Weight
364.930000
Exact Mass
363.857140
InChI
InChI=1S/C8H5BrF3I/c9-4-5-3-6(8(10,11)12)1-2-7(5)13/h1-3H,4H2
InChIKey
YEVQZPWSVWZAOB-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.25
Rotatable bonds
1
H-bond acceptors
3
Molar refractivity
56.79
TPSA
0.0000
LogP / Solubility
WLOGP
4.2
MLOGP
3.72
XLogP3
4
Consensus LogP
3.97
Log S (ESOL)
-5.03
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.59
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.64
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
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
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