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CAS 126747-14-6 4-Cyanophenylboronic Acid (contains varying amounts of Anhydride) molecular structure lightbox
CAS RN: 126747-14-6

4-Cyanophenylboronic Acid (contains varying amounts of Anhydride)

Product Availability

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4 package records4 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260508 100g In stock Shanghai, Shandong Inquiry
Batchno.20250717 1g In stock Shanghai, Shandong, Hebei Inquiry
Batchno.20250629 25g In stock Shanghai, Shandong, Guangdong Inquiry
Batchno.20250707 5g In stock Shanghai, Shandong, Guangdong, Hebei Inquiry
  • Product code: SSC-033897
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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
  • Available purity: ≥97%
  • Inventory rows with stock: 1
  • Bulk packaging: confirmed by inquiry
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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 126747-14-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥97% 3 In Stock Shenzhen Inquiry
5g ≥97% 0 Out of Stock Hong Kong Inquiry
10g ≥97% 0 Out of Stock Hong Kong Inquiry
25g ≥97% 0 Out of Stock Hong Kong Inquiry
100g ≥97% 0 Out of Stock Hong Kong Inquiry
500g ≥97% 0 Out of Stock Beijing Inquiry

126747-14-6 / (4-cyanophenyl)boronic acid

Standard CAS: 126747-14-6 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
126747-14-6
Multi CAS
No
Molecular Formula
C7H6BNO2
Molecular Weight
146.940000
Exact Mass
147.049159
SMILES
B(C1=CC=C(C=C1)C#N)(O)O
InChI
InChI=1S/C7H6BNO2/c9-5-6-1-3-7(4-2-6)8(10)11/h1-4,10-11H
InChIKey
CEBAHYWORUOILU-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
6
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
2
Molar refractivity
40.98
TPSA
64.25

LogP / Solubility

WLOGP
-0.76
MLOGP
-0.68
XLogP3
-0.76
Consensus LogP
-0.73
Log S (ESOL)
-0.61
Class (ESOL)
Very soluble
Log S (Ali)
-0.21
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.1
Class (SILICOS-IT)
Very soluble

ADME

GI absorption
Low
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)
-4.16

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)
Acute Toxic Irritant
Signal
Danger
GHS Hazard Statements
H301 (33.3%): Toxic if swallowed [Danger Acute toxicity, oral] H302 (33.3%): Harmful if swallowed [Warning Acute toxicity, oral] H311 (20%): Toxic in contact with skin [Danger Acute toxicity, dermal] H315 (86.7%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (86.7%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
Precautionary Statement Codes
P261, P262, P264, P264+P265, P270, P271, P280, P301+P316, P301+P317, P302+P352, P304+P340, P305+P351+P338, P316, P319, P321, P330, P332+P317, P337+P317, P361+P364, P362+P364, P403+P233, P405, and P501

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