CAS RN: 159020-59-4
3-Fluoro-5-(trifluoromethyl)phenylboronic Acid (contains varying amounts of Anhydride)
Product Availability
Choose a grade to view its available package options.
6 package records3 with current stock2 grade groups
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20250620 | 250mg / 1g / 5g / 10g / 25g | Confirm by inquiry | Shanghai, Shandong | 3-5 business days | Inquiry |
- Product code: SSC-067145
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, 1g, 25g, 100g
- Available purity: ≥97%
- Inventory rows with stock: 2
- 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 | ≥97% | 1 In Stock | Shanghai | Inquiry |
| 10g | ≥97% | 1 In Stock | Beijing | Inquiry |
| 1g | ≥97% | 0 Out of Stock | Beijing | Inquiry |
| 25g | ≥97% | 0 Out of Stock | Beijing | Inquiry |
| 100g | ≥97% | 0 Out of Stock | Beijing | Inquiry |
159020-59-4 / [3-fluoro-5-(trifluoromethyl)phenyl]boronic acid
Basic Information
CAS
159020-59-4
Multi CAS
No
Molecular Formula
C7H5BF4O2
Molecular Weight
207.920000
Exact Mass
208.031872
SMILES
B(C1=CC(=CC(=C1)F)C(F)(F)F)(O)O
InChI
InChI=1S/C7H5BF4O2/c9-6-2-4(7(10,11)12)1-5(3-6)8(13)14/h1-3,13-14H
InChIKey
WEMCWZGCSRGJGW-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.14
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
2
Molar refractivity
41.23
TPSA
40.46
LogP / Solubility
WLOGP
0.52
MLOGP
0.46
XLogP3
0.52
Consensus LogP
0.5
Log S (ESOL)
-1.71
Class (ESOL)
Soluble
Log S (Ali)
-1.64
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.57
Class (SILICOS-IT)
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)
-3.62
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
Safety & Transport
Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
H335 (66.7%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
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