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CAS 109705-14-8 1-Fluoro-2,4,6-trimethylpyridinium Tetrafluoroborate molecular structure lightbox
CAS RN: 109705-14-8

1-Fluoro-2,4,6-trimethylpyridinium Tetrafluoroborate

Product Availability

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7 package records3 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20251020 1g In stock Shanghai, Shandong, Chongqing Inquiry
Batchno.20251129 250mg In stock Shanghai, Shandong, Hebei Inquiry
Batchno.20260101 25g Out of stock 5-7 business days Inquiry
Batchno.20250807 5g In stock Shanghai, Hebei Inquiry
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250423 1g Out of stock Inquiry
Batchno.20250504 250mg Out of stock Inquiry
Batchno.20251127 5g Out of stock Inquiry
  • Product code: ICTF1306
  • Purity/Analytical Methods: >92.0%(HPLC)
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109705-14-8 / 1-fluoro-2,4,6-trimethylpyridin-1-ium tetrafluoroborate

1-Fluoro-2,4,6-trimethylpyridinium Tetrafluoroborate [Fluorinating Reagent] | 1-Fluoro-2,4,6-trimethylpyridinium Tetrafluoroborate (Fluorinating Reagent) | RefChem:432753

Standard CAS: 109705-14-8 Multi CAS: Yes
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
109705-14-8
Multi CAS
Yes
Molecular Formula
C8H11BF5N
Molecular Weight
226.980000
Exact Mass
227.090470
SMILES
[B-](F)(F)(F)F.CC1=CC(=[N+](C(=C1)C)F)C
InChI
InChI=1S/C8H11FN.BF4/c1-6-4-7(2)10(9)8(3)5-6;2-1(3,4)5/h4-5H,1-3H3;/q+1;-1
InChIKey
RRNLYYDDEUOXBB-UHFFFAOYSA-N
Synonyms
1-Fluoro-2,4,6-trimethylpyridinium Tetrafluoroborate [Fluorinating Reagent] 1-Fluoro-2,4,6-trimethylpyridinium Tetrafluoroborate (Fluorinating Reagent) RefChem:432753 626-616-5 1-Fluoro-2,4,6-trimethylpyridinium tetrafluoroborate

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
6
Fraction Csp3
0.38
H-bond acceptors
6
Molar refractivity
47.54
TPSA
3.88

LogP / Solubility

WLOGP
2.93
MLOGP
2.58
XLogP3
2.93
Consensus LogP
2.81
Log S (ESOL)
-3.39
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.54
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.57
Class (SILICOS-IT)
Poorly 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)
-2.02

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 (95.1%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (95.1%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335 (95.1%): 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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