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CAS 192863-40-4 Potassium (3-Nitrophenyl)trifluoroborate molecular structure lightbox
CAS RN: 192863-40-4

Potassium (3-Nitrophenyl)trifluoroborate

  • Product code: SSC-090194
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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: 10g
  • Available purity: ≥95%
  • 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 192863-40-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
10g ≥95% 0 Out of Stock Beijing Inquiry

192863-40-4 / potassium trifluoro-(3-nitrophenyl)boranuide

Standard CAS: 192863-40-4 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
192863-40-4
Multi CAS
No
Molecular Formula
C6H4BF3KNO2
Molecular Weight
229.010000
Exact Mass
228.992425
SMILES
[B-](C1=CC(=CC=C1)[N+](=O)[O-])(F)(F)F.[K+]
InChI
InChI=1S/C6H4BF3NO2.K/c8-7(9,10)5-2-1-3-6(4-5)11(12)13;/h1-4H;/q-1;+1
InChIKey
ZKZMSCLFLMORNI-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
6
Rotatable bonds
2
H-bond acceptors
2
Molar refractivity
41.81
TPSA
43.14

LogP / Solubility

WLOGP
-1.35
MLOGP
-1.18
XLogP3
-1.35
Consensus LogP
-1.29
Log S (ESOL)
-0.6
Class (ESOL)
Very soluble
Log S (Ali)
-0.47
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.27
Class (SILICOS-IT)
Very 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)
-5.07

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] H335 (97.7%): 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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