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CAS 1111732-91-2 Potassium Trifluoro(2-fluoropyridin-3-yl)borate molecular structure lightbox
CAS RN: 1111732-91-2

Potassium Trifluoro(2-fluoropyridin-3-yl)borate

  • Product code: SSC-012040
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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
  • Available purity: ≥97%
  • 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 1111732-91-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥97% 0 Out of Stock Hong Kong Inquiry

1111732-91-2 / potassium trifluoro-(2-fluoro-3-pyridinyl)boranuide

Potassium trifluoro(2-fluoropyridin-3-yl)borate | RefChem:868126 | 842-464-4

Standard CAS: 1111732-91-2 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1111732-91-2
Multi CAS
No
Molecular Formula
C5H3BF4KN
Molecular Weight
202.990000
Exact Mass
202.993173
SMILES
[B-](C1=C(N=CC=C1)F)(F)(F)F.[K+]
InChI
InChI=1S/C5H3BF4N.K/c7-5-4(6(8,9)10)2-1-3-11-5;/h1-3H;/q-1;+1
InChIKey
GFPUNXCYJCTALN-UHFFFAOYSA-N
Synonyms
Potassium trifluoro(2-fluoropyridin-3-yl)borate RefChem:868126 842-464-4 PotassiuM 2-fluoropyridine-3-trifluoroborate POTASSIUM 2-FLUOROPYRIDINE-3-YLTRIFLUOROBORATE

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
6
Rotatable bonds
1
H-bond acceptors
1
Molar refractivity
32.91
TPSA
12.89

LogP / Solubility

WLOGP
-1.72
MLOGP
-1.51
XLogP3
-1.72
Consensus LogP
-1.65
Log S (ESOL)
-0.32
Class (ESOL)
Very soluble
Log S (Ali)
0.02
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
0.33
Class (SILICOS-IT)
Highly soluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-5.18

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
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
Precautionary Statement Codes
P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, and P362+P364

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