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CAS 1493-13-6 Trifluoromethanesulfonic Acid molecular structure lightbox
CAS RN: 1493-13-6

Trifluoromethanesulfonic Acid

Product Availability

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2 package records2 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250703 10ml / 50ml / 250ml / 1L Confirm by inquiry Shanghai, Shandong, Guangdong, Chongqing, Hebei Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251121 2g / 10g / 25g / 100g / 500g / 1kg Confirm by inquiry Shanghai, Shandong, Guangdong, Chongqing, Hebei Inquiry
  • Product code: ICTT0751
  • Purity/Analytical Methods: >98.0%(T)
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1493-13-6 / trifluoromethanesulfonic acid

Standard CAS: 1493-13-6 Multi CAS: No
Basic Information Physical Properties Computed Properties Safety & Transport

Basic Information

CAS
1493-13-6
Multi CAS
No
Molecular Formula
CHF3O3S
Molecular Weight
150.080000
Exact Mass
149.959850
SMILES
C(F)(F)(F)S(=O)(=O)O
InChI
InChI=1S/CHF3O3S/c2-1(3,4)8(5,6)7/h(H,5,6,7)
InChIKey
ITMCEJHCFYSIIV-UHFFFAOYSA-N

Physical Properties

Physical Description
Colorless hygroscopic liquid; [Merck Index]
State
Liquid

Computed Properties

Structural Parameters

Heavy atom count
8
Fraction Csp3
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
17.6
TPSA
54.37

LogP / Solubility

WLOGP
0.39
MLOGP
0.34
XLogP3
0.3
Consensus LogP
0.34
Log S (ESOL)
-1.02
Class (ESOL)
Soluble
Log S (Ali)
-1.08
Class (Ali)
Soluble
Log S (SILICOS-IT)
-0.96
Class (SILICOS-IT)
Very 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)
-3.36

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)
Corrosive Irritant
Signal
Danger Warning
GHS Hazard Statements
H290 (92.8%): May be corrosive to metals [Warning Corrosive to Metals] H302 (99.5%): Harmful if swallowed [Warning Acute toxicity, oral] H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation] H335 (96.8%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation] H319: Causes serious eye irritation [Warning Serious eye damage/eye irritation]
Precautionary Statement Codes
P234, P260, P261, P264, P270, P271, P280, P301+P317, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P319, P321, P330, P363, P390, P403+P233, P405, P406, and P501 P264+P265, P280, P305+P351+P338, and P337+P317

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