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CAS 1443685-69-5 Lithium Trifluoro(trifluoromethyl)borate – Dimethyl Carbonate Complex molecular structure lightbox
CAS RN: 1443685-69-5

Lithium Trifluoro(trifluoromethyl)borate – Dimethyl Carbonate Complex

  • Product code: SSC-055583
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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: 1g
  • 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 1443685-69-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

1443685-69-5 / lithium;dimethyl carbonate;trifluoro(trifluoromethyl)boranuide

Standard CAS: 1443685-69-5 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1443685-69-5
Multi CAS
No
Molecular Formula
C4H6BF6LiO3
Molecular Weight
233.900000
Exact Mass
234.047422
SMILES
[Li+].[B-](C(F)(F)F)(F)(F)F.COC(=O)OC
InChI
InChI=1S/C3H6O3.CBF6.Li/c1-5-3(4)6-2;3-1(4,5)2(6,7)8;/h1-2H3;;/q;-1;+1
InChIKey
ZGAWBZORCLPFJC-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
15
Fraction Csp3
0.75
Rotatable bonds
2
H-bond acceptors
3
Molar refractivity
34.55
TPSA
35.53

LogP / Solubility

WLOGP
-0.66
MLOGP
-0.58
XLogP3
-0.66
Consensus LogP
-0.63
Log S (ESOL)
-0.87
Class (ESOL)
Very soluble
Log S (Ali)
-1
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.63
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)
-4.62

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]
Precautionary Statement Codes
P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, and P362+P364

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