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CAS 1065010-88-9 Potassium cyclobutyltrifluoroborate molecular structure lightbox
CAS RN: 1065010-88-9

Potassium cyclobutyltrifluoroborate

  • Product code: SSC-008124
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Verified Factory Data

Supply Overview & Packaging Options

Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.

  • Pack sizes on record: 1g, 10g, 0.1g, 0.25g, 25g, 5g
  • Available purity: >97%
  • Inventory rows with stock: 5
  • Bulk packaging: confirmed by inquiry
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Available Pack Sizes & Stock

Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 1065010-88-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g >97% 5 In Stock Hong Kong Inquiry
10g >97% 5 In Stock Hong Kong Inquiry
0.1g >97% 2 In Stock Hong Kong Inquiry
0.25g >97% 2 In Stock Shenzhen Inquiry
25g >97% 1 In Stock Shanghai Inquiry
5g >97% 0 Out of Stock Beijing Inquiry

1065010-88-9 / potassium cyclobutyl(trifluoro)boranuide

potassium cyclobutyltrifluoroboranuide | RefChem:867778 | 687-845-4

Standard CAS: 1065010-88-9 Multi CAS: Yes
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1065010-88-9
Multi CAS
Yes
Molecular Formula
C4H7BF3K
Molecular Weight
162.010000
Exact Mass
162.022996
SMILES
[B-](C1CCC1)(F)(F)F.[K+]
InChI
InChI=1S/C4H7BF3.K/c6-5(7,8)4-2-1-3-4;/h4H,1-3H2;/q-1;+1
InChIKey
GZQJPWKFEMYYOO-UHFFFAOYSA-N
Synonyms
potassium cyclobutyltrifluoroboranuide RefChem:867778 687-845-4 Potassium cyclobutyltrifluoroborate MFCD09992884

Computed Properties

Structural Parameters

Heavy atom count
9
Fraction Csp3
1
Rotatable bonds
1
H-bond acceptors
4
Molar refractivity
26.68
TPSA
0.0000

LogP / Solubility

WLOGP
-0.61
MLOGP
-0.54
XLogP3
-0.61
Consensus LogP
-0.59
Log S (ESOL)
-0.4
Class (ESOL)
Very soluble
Log S (Ali)
-0.45
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.33
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)
-4.14

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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