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CAS 1111733-07-3 POTASSIUM ISOQUINOLINE-4-TRIFLUOROBORATE molecular structure lightbox
CAS RN: 1111733-07-3

POTASSIUM ISOQUINOLINE-4-TRIFLUOROBORATE

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250905 1g / 5g Out of stock 30 business days Inquiry
  • Product code: SSC-012042
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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: 5g
  • 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 1111733-07-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ＞97% 0 Out of Stock Shenzhen Inquiry

1111733-07-3 / potassium trifluoro(isoquinolin-4-yl)boranuide

Potassium 4-isoquinolinetrifluoroborate | RefChem:867637 | 664-079-9

Standard CAS: 1111733-07-3 Multi CAS: Yes
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1111733-07-3
Multi CAS
Yes
Molecular Formula
C9H6BF3KN
Molecular Weight
235.060000
Exact Mass
235.018245
SMILES
[B-](C1=CN=CC2=CC=CC=C12)(F)(F)F.[K+]
InChI
InChI=1S/C9H6BF3N.K/c11-10(12,13)9-6-14-5-7-3-1-2-4-8(7)9;/h1-6H;/q-1;+1
InChIKey
QEIOJGBGINOBGG-UHFFFAOYSA-N
Synonyms
Potassium 4-isoquinolinetrifluoroborate RefChem:867637 664-079-9 Potassium trifluoro(isoquinolin-4-yl)borate Potassium Isoquinoline-4-trifluoroborate

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
10
Rotatable bonds
1
H-bond acceptors
1
Molar refractivity
50.46
TPSA
12.89

LogP / Solubility

WLOGP
-0.71
MLOGP
-0.62
XLogP3
-0.71
Consensus LogP
-0.68
Log S (ESOL)
-1.28
Class (ESOL)
Soluble
Log S (Ali)
-0.98
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.72
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)
-4.66

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 (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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