CAS RN: 2252-44-0
1-Bromo-3-(trifluoromethoxy)benzene
Product Availability
Choose a grade to view its available package options.
14 package records13 with current stock3 grade groups
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20250526 | 100g | In stock | Shanghai, Shenzhen, Wuhan, Chengdu | Inquiry | |
| Batchno.20251230 | 10g | In stock | Shanghai | Inquiry | |
| Batchno.20250321 | 1kg | In stock | Shanghai | Inquiry | |
| Batchno.20251109 | 25g | In stock | Shanghai, Shenzhen, Tianjin | Inquiry | |
| Batchno.20250111 | 500g | In stock | Shanghai, Shenzhen, Tianjin, Wuhan | Inquiry | |
| Batchno.20250225 | 5g | In stock | Shanghai, Shenzhen, Tianjin | Inquiry |
- Product code: SSC-110103
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: 5g, 10g, 25g, 100g, 1000g
- Available purity: ≥98%
- 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 |
|---|---|---|---|---|
| 5g | -- | 3 In Stock | Shanghai | Inquiry |
| 5g | ≥98% | 3 In Stock | Shanghai | Inquiry |
| 10g | -- | 2 In Stock | Beijing | Inquiry |
| 10g | ≥98% | 2 In Stock | Beijing | Inquiry |
| 25g | -- | 0 Out of Stock | Hong Kong | Inquiry |
| 25g | ≥98% | 0 Out of Stock | Beijing | Inquiry |
| 100g | -- | 0 Out of Stock | Hong Kong | Inquiry |
| 100g | ≥98% | 0 Out of Stock | Hong Kong | Inquiry |
| 1000g | -- | 0 Out of Stock | Beijing | Inquiry |
2252-44-0 / 1-bromo-3-(trifluoromethoxy)benzene
Basic Information
CAS
2252-44-0
Multi CAS
No
Molecular Formula
C7H4BrF3O
Molecular Weight
241.000000
Exact Mass
239.939760
SMILES
C1=CC(=CC(=C1)Br)OC(F)(F)F
InChI
InChI=1S/C7H4BrF3O/c8-5-2-1-3-6(4-5)12-7(9,10)11/h1-4H
InChIKey
WVUDHWBCPSXAFN-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.14
Rotatable bonds
1
H-bond acceptors
1
Molar refractivity
40.83
TPSA
9.23
LogP / Solubility
WLOGP
3.35
MLOGP
2.95
XLogP3
3.8
Consensus LogP
3.37
Log S (ESOL)
-3.75
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.95
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.13
Class (SILICOS-IT)
Slightly 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)
-1.81
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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