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CAS 174899-66-2 1-Butyl-3-methylimidazolium Trifluoromethanesulfonate molecular structure lightbox
CAS RN: 174899-66-2

1-Butyl-3-methylimidazolium Trifluoromethanesulfonate

Product Availability

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3 package records3 with current stock3 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250728 1g / 5g / 25g / 100g / 500g Confirm by inquiry Shanghai, Shandong, Guangdong, Hebei Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250405 1g / 5g Confirm by inquiry Shanghai Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250211 1g / 5g / 25g Confirm by inquiry Shanghai Inquiry
  • Product code: SSC-076713
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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: 10g, 5g, 25g, 100g
  • Available purity: ≥98%
  • Inventory rows with stock: 3
  • 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 174899-66-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
10g ≥98% 5 In Stock Beijing Inquiry
5g ≥98% 2 In Stock Shenzhen Inquiry
25g ≥98% 2 In Stock Beijing Inquiry
100g ≥98% 0 Out of Stock Beijing Inquiry

174899-66-2 / 1-butyl-3-methylimidazol-3-ium;trifluoromethanesulfonate

Standard CAS: 174899-66-2 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
174899-66-2
Multi CAS
No
Molecular Formula
C9H15F3N2O3S
Molecular Weight
288.290000
Exact Mass
288.075548
SMILES
CCCCN1C=C[N+](=C1)C.C(F)(F)(F)S(=O)(=O)[O-]
InChI
InChI=1S/C8H15N2.CHF3O3S/c1-3-4-5-10-7-6-9(2)8-10;2-1(3,4)8(5,6)7/h6-8H,3-5H2,1-2H3;(H,5,6,7)/q+1;/p-1
InChIKey
FRZPYEHDSAQGAS-UHFFFAOYSA-M

Computed Properties

Structural Parameters

Heavy atom count
18
Aromatic heavy atom count
5
Fraction Csp3
0.67
Rotatable bonds
3
H-bond acceptors
4
Molar refractivity
56.27
TPSA
66.01

LogP / Solubility

WLOGP
1.16
MLOGP
1.04
XLogP3
1.16
Consensus LogP
1.12
Log S (ESOL)
-2.37
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.76
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.86
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
High
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)
-3.65

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
1.5

Safety & Transport

Pictogram(s)
Acute Toxic Irritant Environmental Hazard
Signal
Danger
GHS Hazard Statements
H301 (95.3%): Toxic if swallowed [Danger Acute toxicity, oral] H315 (99.3%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (99.3%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H411 (69.3%): Toxic to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]
Precautionary Statement Codes
P264, P264+P265, P270, P273, P280, P301+P316, P302+P352, P305+P351+P338, P321, P330, P332+P317, P337+P317, P362+P364, P391, P405, and P501

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