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CAS 1546-79-8 1-(Trifluoroacetyl)imidazole molecular structure lightbox
CAS RN: 1546-79-8

1-(Trifluoroacetyl)imidazole

Product Availability

Choose a grade to view its available package options.

6 package records5 with current stock3 grade groups
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20260609 100g In stock Shanghai Inquiry
Batchno.20260320 25g In stock Shanghai Inquiry
Batchno.20250516 500g In stock Shanghai Inquiry
Batchno.20250924 5g In stock Shanghai Inquiry
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250307 1g / 5g / 25g / 100g Confirm by inquiry Shandong, Hebei, Guangdong 5-7 business days Inquiry
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20260510 5ml / 10X1ml Out of stock 8-10 business days Inquiry
  • Product code: SSC-063929
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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: 100g
  • 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 1546-79-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
100g ≥95% 0 Out of Stock Beijing Inquiry

1546-79-8 / 2,2,2-trifluoro-1-imidazol-1-ylethanone

Standard CAS: 1546-79-8 Multi CAS: No
Basic Information Physical Properties Computed Properties Safety & Transport

Basic Information

CAS
1546-79-8
Multi CAS
No
Molecular Formula
C5H3F3N2O
Molecular Weight
164.090000
Exact Mass
164.019747
SMILES
C1=CN(C=N1)C(=O)C(F)(F)F
InChI
InChI=1S/C5H3F3N2O/c6-5(7,8)4(11)10-2-1-9-3-10/h1-3H
InChIKey
SINBGNJPYWNUQI-UHFFFAOYSA-N

Physical Properties

Physical Description
Colorless to light yellow liquid.
State
Liquid

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
5
Fraction Csp3
0.2
H-bond acceptors
3
Molar refractivity
28.91
TPSA
34.89

LogP / Solubility

WLOGP
1.09
MLOGP
0.95
XLogP3
0.8
Consensus LogP
0.95
Log S (ESOL)
-1.88
Class (ESOL)
Soluble
Log S (Ali)
-1.69
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.63
Class (SILICOS-IT)
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)
-2.95

Drug-likeness / Medicinal Chemistry

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

Safety & Transport

Pictogram(s)
Flammable Irritant
Signal
Warning
GHS Hazard Statements
H226 (100%): Flammable liquid and vapor [Warning Flammable liquids] H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (97.9%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335 (97.9%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P271, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, and P501

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