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CAS 127783-36-2 Trimethylsilylethynyl(phenyl)iodonium Tetrafluoroborate molecular structure lightbox
CAS RN: 127783-36-2

Trimethylsilylethynyl(phenyl)iodonium Tetrafluoroborate

  • Product code: SSC-035212
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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: 5g
  • 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 127783-36-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ＞95% 0 Out of Stock Shenzhen Inquiry

127783-36-2 / phenyl(2-trimethylsilylethynyl)iodanium tetrafluoroborate

Standard CAS: 127783-36-2 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
127783-36-2
Multi CAS
No
Molecular Formula
C11H14BF4ISi
Molecular Weight
388.020000
Exact Mass
387.993870
SMILES
[B-](F)(F)(F)F.C[Si](C)(C)C#C[I+]C1=CC=CC=C1
InChI
InChI=1S/C11H14ISi.BF4/c1-13(2,3)10-9-12-11-7-5-4-6-8-11;2-1(3,4)5/h4-8H,1-3H3;/q+1;-1
InChIKey
QHLUVBBDXOGLSV-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
18
Aromatic heavy atom count
6
Fraction Csp3
0.27
Rotatable bonds
1
H-bond acceptors
5
Molar refractivity
66.45
TPSA
0.0000

LogP / Solubility

WLOGP
1.08
MLOGP
0.98
XLogP3
1.08
Consensus LogP
1.05
Log S (ESOL)
-3.11
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.52
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.2
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)
-4.32

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
1.5

Safety & Transport

Pictogram(s)
Flammable Corrosive Irritant
Signal
Danger
GHS Hazard Statements
H228 (100%): Flammable solid [Danger Flammable solids] H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation] H318 (100%): Causes serious eye damage [Danger Serious eye damage/eye irritation]
Precautionary Statement Codes
P210, P240, P241, P260, P264, P264+P265, P270, P280, P301+P317, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P330, P363, P370+P378, P405, and P501

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