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CAS 1204518-02-4 (4-Methylphenyl)(2,4,6-trimethylphenyl)iodonium Trifluoromethanesulfonate molecular structure lightbox
CAS RN: 1204518-02-4

(4-Methylphenyl)(2,4,6-trimethylphenyl)iodonium Trifluoromethanesulfonate

Product Availability

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5 package records4 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260411 200mg / 1g / 5g / 25g Confirm by inquiry Shanghai Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250921 10g Out of stock Inquiry
Batchno.20250709 1g In stock Shanghai, Tianjin, Wuhan, Chengdu Inquiry
Batchno.20250131 250mg In stock Shanghai, Shenzhen, Tianjin, Chengdu Inquiry
Batchno.20251029 5g In stock Shenzhen, Tianjin, Wuhan, Chengdu Inquiry
  • Product code: SSC-021447
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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: ≥97%
  • 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 1204518-02-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥97% 0 Out of Stock Beijing Inquiry

1204518-02-4 / (4-methylphenyl)-(2,4,6-trimethylphenyl)iodanium;trifluoromethanesulfonate

(4-Methylphenyl)(2,4,6-trimethylphenyl)iodonium trifluoromethanesulfonate | RefChem:403041 | 694-753-8

Standard CAS: 1204518-02-4 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1204518-02-4
Multi CAS
No
Molecular Formula
C17H18F3IO3S
Molecular Weight
486.300000
Exact Mass
485.997350
SMILES
CC1=CC=C(C=C1)[I+]C2=C(C=C(C=C2C)C)C.C(F)(F)(F)S(=O)(=O)[O-]
InChI
InChI=1S/C16H18I.CHF3O3S/c1-11-5-7-15(8-6-11)17-16-13(3)9-12(2)10-14(16)4;2-1(3,4)8(5,6)7/h5-10H,1-4H3;(H,5,6,7)/q+1;/p-1
InChIKey
KVLSSMIQFXWHII-UHFFFAOYSA-M
Synonyms
(4-Methylphenyl)(2,4,6-trimethylphenyl)iodonium trifluoromethanesulfonate RefChem:403041 694-753-8 (4-Methylphenyl)(2,4,6-trimethylphenyl)iodonium triflate Mesityl(p-tolyl)iodonium triflate

Computed Properties

Structural Parameters

Heavy atom count
25
Aromatic heavy atom count
12
Fraction Csp3
0.29
Rotatable bonds
2
H-bond acceptors
3
Molar refractivity
84.98
TPSA
57.2

LogP / Solubility

WLOGP
1.1
MLOGP
1
XLogP3
1.1
Consensus LogP
1.07
Log S (ESOL)
-3.77
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.34
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-3.97
Class (SILICOS-IT)
Poorly 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)
-4.91

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)
Acute Toxic Irritant
Signal
Danger
GHS Hazard Statements
H301 (97.4%): Toxic if swallowed [Danger Acute toxicity, oral] H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335 (97.4%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P261, P264, P264+P265, P270, P271, P280, P301+P316, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

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