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CAS 1041642-13-0 POTASSIUM I-PROPYLTRIFLUOROBORATE molecular structure lightbox
CAS RN: 1041642-13-0

POTASSIUM I-PROPYLTRIFLUOROBORATE

  • Product code: SSC-005931
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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, 5g, 10g, 25g, 0.25g, 100g
  • Available purity: >95%
  • Inventory rows with stock: 4
  • 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 1041642-13-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g >95% 3 In Stock Shanghai Inquiry
5g >95% 3 In Stock Shenzhen Inquiry
10g >95% 3 In Stock Beijing Inquiry
25g >95% 2 In Stock Shenzhen Inquiry
0.25g >95% 0 Out of Stock Shenzhen Inquiry
100g >95% 0 Out of Stock Shenzhen Inquiry

1041642-13-0 / potassium trifluoro(propan-2-yl)boranuide

Potassium isopropyltrifluoroborate | RefChem:867872 | 801-635-3

Standard CAS: 1041642-13-0 Multi CAS: Yes
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1041642-13-0
Multi CAS
Yes
Molecular Formula
C3H7BF3K
Molecular Weight
149.990000
Exact Mass
150.022996
SMILES
[B-](C(C)C)(F)(F)F.[K+]
InChI
InChI=1S/C3H7BF3.K/c1-3(2)4(5,6)7;/h3H,1-2H3;/q-1;+1
InChIKey
CATSGFLKVWWQST-UHFFFAOYSA-N
Synonyms
Potassium isopropyltrifluoroborate RefChem:867872 801-635-3 Potassium trifluoro(isopropyl)borate MFCD04112718

Computed Properties

Structural Parameters

Heavy atom count
8
Fraction Csp3
1
Rotatable bonds
1
H-bond acceptors
4
Molar refractivity
24.18
TPSA
0.0000

LogP / Solubility

WLOGP
-0.75
MLOGP
-0.67
XLogP3
-0.75
Consensus LogP
-0.72
Log S (ESOL)
-0.23
Class (ESOL)
Very soluble
Log S (Ali)
-0.25
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.13
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)
-4.17

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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