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CAS 120153-08-4 4-Carboxy-3-fluorophenylboronic acid molecular structure lightbox
CAS RN: 120153-08-4

4-Carboxy-3-fluorophenylboronic acid

Product Availability

Choose a grade to view its available package options.

6 package records6 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250404 100g In stock Inquiry
Batchno.20250430 10g In stock Inquiry
Batchno.20260427 1g In stock Inquiry
Batchno.20251009 25g In stock Inquiry
Batchno.20250409 5g In stock Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260120 1g / 5g / 25g / 100g Confirm by inquiry Shanghai, Shandong Inquiry
  • Product code: SSC-020930
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Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 1g, 5g, 10g
  • Available purity: ≥98%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 120153-08-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥98% 0 Out of Stock Shenzhen Inquiry
5g ≥98% 0 Out of Stock Hong Kong Inquiry
10g ≥98% 0 Out of Stock Shanghai Inquiry

120153-08-4 / 4-borono-2-fluorobenzoic acid

4-Carboxy-3-fluorophenylboronic acid | DTXSID90376807 | RefChem:98269

Standard CAS: 120153-08-4 Multi CAS: Yes
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
120153-08-4
Multi CAS
Yes
Molecular Formula
C7H6BFO4
Molecular Weight
183.930000
Exact Mass
184.034317
SMILES
B(C1=CC(=C(C=C1)C(=O)O)F)(O)O
InChI
InChI=1S/C7H6BFO4/c9-6-3-4(8(12)13)1-2-5(6)7(10)11/h1-3,12-13H,(H,10,11)
InChIKey
CZDWJVSOQOMYGC-UHFFFAOYSA-N
Synonyms
4-Carboxy-3-fluorophenylboronic acid DTXSID90376807 RefChem:98269 DTXCID50327835 4-borono-2-fluorobenzoic acid

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
6
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
3
Molar refractivity
43.18
TPSA
77.76

LogP / Solubility

WLOGP
-0.8
MLOGP
-0.7
XLogP3
-0.8
Consensus LogP
-0.77
Log S (ESOL)
-0.69
Class (ESOL)
Very soluble
Log S (Ali)
-0.49
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.43
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)
-4.41

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 (100%): 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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