[email protected]
CAS 128796-39-4 4-(Trifluoromethyl)phenylboronic Acid (contains varying amounts of Anhydride) molecular structure lightbox
CAS RN: 128796-39-4

4-(Trifluoromethyl)phenylboronic Acid (contains varying amounts of Anhydride)

Product Availability

Choose a grade to view its available package options.

1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251014 1g / 5g / 25g / 100g / 500g Confirm by inquiry Shanghai, Shandong, Guangdong, Hebei Inquiry
  • Product code: SSC-035964
GET A QUOTE
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: 5
  • Bulk packaging: confirmed by inquiry
Request Bulk Quote

Available Pack Sizes & Stock

Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 128796-39-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g >98% 5 In Stock Shenzhen Inquiry
5g >98% 5 In Stock Shanghai Inquiry
10g >98% 5 In Stock Shenzhen Inquiry
25g >98% 5 In Stock Beijing Inquiry
100g >98% 5 In Stock Shanghai Inquiry
500g >98% 0 Out of Stock Beijing Inquiry
1000g >98% 0 Out of Stock Beijing Inquiry

128796-39-4 / [4-(trifluoromethyl)phenyl]boronic acid

Standard CAS: 128796-39-4 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
128796-39-4
Multi CAS
No
Molecular Formula
C7H6BF3O2
Molecular Weight
189.930000
Exact Mass
190.041294
SMILES
B(C1=CC=C(C=C1)C(F)(F)F)(O)O
InChI
InChI=1S/C7H6BF3O2/c9-7(10,11)5-1-3-6(4-2-5)8(12)13/h1-4,12-13H
InChIKey
ALMFIOZYDASRRC-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.14
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
2
Molar refractivity
41.27
TPSA
40.46

LogP / Solubility

WLOGP
0.39
MLOGP
0.34
XLogP3
0.39
Consensus LogP
0.37
Log S (ESOL)
-1.54
Class (ESOL)
Soluble
Log S (Ali)
-1.4
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.33
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)
-3.61

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H302 (80.8%): Harmful if swallowed [Warning Acute toxicity, oral] H315 (23.1%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (23.1%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335 (19.2%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
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

Customers Also Viewed

Get In Touch

Contact Us