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CAS 119229-99-1 Lithium Bis(nonafluorobutanesulfonyl)imide molecular structure lightbox
CAS RN: 119229-99-1

Lithium Bis(nonafluorobutanesulfonyl)imide

  • Product code: SSC-019737
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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 119229-99-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

119229-99-1 / lithium bis(1,1,2,2,3,3,4,4,4-nonafluorobutylsulfonyl)azanide

LITHIUM BIS(1,1,2,2,3,3,4,4,4-NONAFLUORO-1-BUTANESULFONYL)IMIDE | RefChem:799492 | 692-764-2

Standard CAS: 119229-99-1 Multi CAS: Yes
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
119229-99-1
Multi CAS
Yes
Molecular Formula
C8F18LiNO4S2
Molecular Weight
587.200000
Exact Mass
586.914135
SMILES
[Li+].C(C(C(F)(F)S(=O)(=O)[N-]S(=O)(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(C(F)(F)F)(F)F
InChI
InChI=1S/C8F18NO4S2.Li/c9-1(10,5(17,18)19)3(13,14)7(23,24)32(28,29)27-33(30,31)8(25,26)4(15,16)2(11,12)6(20,21)22;/q-1;+1
InChIKey
QIWLMMWTZVIAFK-UHFFFAOYSA-N
Synonyms
LITHIUM BIS(1,1,2,2,3,3,4,4,4-NONAFLUORO-1-BUTANESULFONYL)IMIDE RefChem:799492 692-764-2 MFCD06200837 Lithium Bis(nonafluorobutanesulfonyl)imide

Computed Properties

Structural Parameters

Heavy atom count
34
Fraction Csp3
1
Rotatable bonds
8
H-bond acceptors
4
Molar refractivity
62.99
TPSA
82.38

LogP / Solubility

WLOGP
1.88
MLOGP
1.7
XLogP3
1.88
Consensus LogP
1.82
Log S (ESOL)
-4.13
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.73
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.99
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
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)
-4.97

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
2.5

Safety & Transport

Pictogram(s)
Corrosive
Signal
Danger
GHS Hazard Statements
H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation] H318 (50%): Causes serious eye damage [Danger Serious eye damage/eye irritation]
Precautionary Statement Codes
P260, P264, P264+P265, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P363, P405, and P501

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