CAS RN: 139301-27-2
4-(Trifluoromethoxy)phenylboronic Acid (contains varying amounts of Anhydride)
Product Availability
Choose a grade to view its available package options.
11 package records10 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20250623 | 100g | In stock | Shanghai, Wuhan | Inquiry | |
| Batchno.20251016 | 100g | In stock | Shanghai | Inquiry | |
| Batchno.20250720 | 10g | In stock | Shanghai, Shenzhen, Tianjin, Wuhan, Chengdu | Inquiry | |
| Batchno.20251208 | 1g | In stock | Shanghai, Shandong | Inquiry | |
| Batchno.20260520 | 1kg | In stock | Shanghai, Tianjin | Inquiry | |
| Batchno.20250623 | 25g | In stock | Shanghai, Shenzhen, Tianjin, Wuhan, Chengdu | Inquiry | |
| Batchno.20260409 | 25g | In stock | Shanghai, Hebei | Inquiry | |
| Batchno.20251205 | 500g | In stock | Shanghai | Inquiry | |
| Batchno.20250211 | 500g | Out of stock | 5-7 business days | Inquiry | |
| Batchno.20250428 | 5g | In stock | Shanghai, Shenzhen, Tianjin, Wuhan, Chengdu | Inquiry | |
| Batchno.20250316 | 5g | In stock | Hebei | Inquiry |
- Product code: SSC-049752
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, 500g, 1000g
- Available purity: ≥98%
- 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 |
|---|---|---|---|---|
| 1g | ≥98% | 5 In Stock | Shanghai | Inquiry |
| 5g | ≥98% | 4 In Stock | Beijing | Inquiry |
| 10g | ≥98% | 0 Out of Stock | Hong Kong | Inquiry |
| 25g | ≥98% | 0 Out of Stock | Hong Kong | Inquiry |
| 100g | ≥98% | 0 Out of Stock | Hong Kong | Inquiry |
| 500g | ≥98% | 0 Out of Stock | Beijing | Inquiry |
| 1000g | ≥98% | 0 Out of Stock | Beijing | Inquiry |
139301-27-2 / [4-(trifluoromethoxy)phenyl]boronic acid
Basic Information
CAS
139301-27-2
Multi CAS
No
Molecular Formula
C7H6BF3O3
Molecular Weight
205.930000
Exact Mass
206.036209
SMILES
B(C1=CC=C(C=C1)OC(F)(F)F)(O)O
InChI
InChI=1S/C7H6BF3O3/c9-7(10,11)14-6-3-1-5(2-4-6)8(12)13/h1-4,12-13H
InChIKey
HUOFUOCSQCYFPW-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.14
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
2
Molar refractivity
42.95
TPSA
49.69
LogP / Solubility
WLOGP
0.26
MLOGP
0.23
XLogP3
0.26
Consensus LogP
0.25
Log S (ESOL)
-1.47
Class (ESOL)
Soluble
Log S (Ali)
-1.44
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.46
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)
-3.79
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
H302 (16.7%): Harmful if swallowed [Warning Acute toxicity, oral]
H315 (83.3%): Causes skin irritation [Warning Skin corrosion/irritation]
H319 (83.3%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
H335 (75%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement Codes
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
P261, P264, P270, P271, P280, P301+P317, P302+P352, P304+P340, P317, P321, P330, P362+P364, and P501
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