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CAS 168267-99-0 3-Fluoro-4-methylphenylboronic Acid (contains varying amounts of Anhydride) molecular structure lightbox
CAS RN: 168267-99-0

3-Fluoro-4-methylphenylboronic Acid (contains varying amounts of Anhydride)

Product Availability

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4 package records4 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250906 1g In stock Inquiry
Batchno.20260127 25g In stock Inquiry
Batchno.20251116 5g In stock Inquiry
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20260124 1g / 5g / 25g Confirm by inquiry Shanghai 5-7 business days Inquiry
  • Product code: SSC-073354
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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: 5g, 10g, 25g, 100g
  • Available purity: ≥97%
  • Inventory rows with stock: 4
  • 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 168267-99-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥97% 5 In Stock Shanghai Inquiry
10g ≥97% 5 In Stock Beijing Inquiry
25g ≥97% 4 In Stock Beijing Inquiry
100g ≥97% 2 In Stock Shanghai Inquiry

168267-99-0 / (3-fluoro-4-methylphenyl)boronic acid

Standard CAS: 168267-99-0 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
168267-99-0
Multi CAS
No
Molecular Formula
C7H8BFO2
Molecular Weight
153.950000
Exact Mass
154.060138
SMILES
B(C1=CC(=C(C=C1)C)F)(O)O
InChI
InChI=1S/C7H8BFO2/c1-5-2-3-6(8(10)11)4-7(5)9/h2-4,10-11H,1H3
InChIKey
WPVBHUUZDFUIJA-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
6
Fraction Csp3
0.14
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
2
Molar refractivity
40.96
TPSA
40.46

LogP / Solubility

WLOGP
-0.19
MLOGP
-0.17
XLogP3
-0.19
Consensus LogP
-0.18
Log S (ESOL)
-1.01
Class (ESOL)
Soluble
Log S (Ali)
-0.69
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.63
Class (SILICOS-IT)
Very 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
No
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 (83.3%): 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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