![CAS 127783-34-0 Ethynyl(phenyl)iodonium Tetrafluoroborate [Ethynylating Reagent] molecular structure](https://starshinechemical.com/wp-content/uploads/2022/03/e0467-jpgcontextbwfzdgvyfhjvb3r8mziznzf8aw1hz2uvanblz3xozwivagq0lzg5mza1mte0mje0nzavrta0njcuanbnfgjjymu5mgi2mzc0yju2yti2ndyxzdbhodhknzhinwjinzcxowm3ztg2mjnkowjin2zjmjqwmdmymja3ngyxogy.jpeg)
CAS RN: 127783-34-0
Ethynyl(phenyl)iodonium Tetrafluoroborate [Ethynylating Reagent]
- Product code: SSC-035211
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: ＞95%
- Inventory rows with stock: 0
- Bulk packaging: confirmed by inquiry
Reference Pack Sizes
Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 1g | ＞95% | 0 Out of Stock | Beijing | Inquiry |
127783-34-0 / ethynyl(phenyl)iodanium tetrafluoroborate
Basic Information
CAS
127783-34-0
Multi CAS
No
Molecular Formula
C8H6BF4I
Molecular Weight
315.840000
Exact Mass
315.954340
SMILES
[B-](F)(F)(F)F.C#C[I+]C1=CC=CC=C1
InChI
InChI=1S/C8H6I.BF4/c1-2-9-8-6-4-3-5-7-8;2-1(3,4)5/h1,3-7H;/q+1;-1
InChIKey
AVSBPVBKCONUGF-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
14
Aromatic heavy atom count
6
Rotatable bonds
1
H-bond acceptors
5
Molar refractivity
44.16
TPSA
0.0000
LogP / Solubility
WLOGP
-0.16
MLOGP
-0.13
XLogP3
-0.16
Consensus LogP
-0.15
Log S (ESOL)
-1.95
Class (ESOL)
Soluble
Log S (Ali)
-2.03
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-1.7
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)
-4.76
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)
Corrosive
Acute Toxic
Irritant
Signal
Danger
GHS Hazard Statements
H301 (50%): Toxic if swallowed [Danger Acute toxicity, oral]
H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]
H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
H318 (50%): Causes serious eye damage [Danger Serious eye damage/eye irritation]
Precautionary Statement Codes
P260, P264, P264+P265, P270, P280, P301+P316, P301+P317, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P330, P363, P405, and P501
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- Purity/Analytical method: >90.0%(HPLC)
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-
iodonium p-Toluenesulfonate molecular structure](https://starshinechemical.com/wp-content/uploads/2022/03/f1111-jpgcontextbwfzdgvyfhjvb3r8mzg2mdn8aw1hz2uvanblz3xoytyvadbllzg5mza3mtg1oda3njyvrjexmteuanbnfdbhnjgynmm2zdbindljowzkyjdiztm3zdhhothjyjc5ywi2zjfkotnjmwuyodc1njhkytfhyzfinmzlodk4nzi.jpeg)
iodonium p-Toluenesulfonate molecular structure](https://starshinechemical.com/wp-content/uploads/2022/03/b5269-jpgcontextbwfzdgvyfhjvb3r8mzu5mjl8aw1hz2uvanblz3xonzavadqxlzg5mjkxnjezmtqzmzqvqjuynjkuanbnfgjlnzgwywnkztg2zdc2nte0otjjmzkxnwuyzdezotdjmzy4mzzhzwyzodvlowfinzc3ogi3nzjmymm1mta1ymm.jpeg)
