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CAS 2712-78-9 [Bis(trifluoroacetoxy)iodo]benzene molecular structure lightbox
CAS RN: 2712-78-9

[Bis(trifluoroacetoxy)iodo]benzene

Product Availability

Choose a grade to view its available package options.

5 package records3 with current stock1 grade group
Batch No.PackageAvailabilityInquiry
Batchno.20260331 100g Out of stock Inquiry
Batchno.20260609 10g In stock Inquiry
Batchno.20250816 25g In stock Inquiry
Batchno.20250301 500g Out of stock Inquiry
Batchno.20250829 5g In stock Inquiry
  • Product code: SSC-125920
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Verified Factory Data

Supply Overview & Packaging Options

Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.

  • Pack sizes on record: 5g, 10g, 25g, 100g, 500g
  • Available purity: >95%
  • Inventory rows with stock: 5
  • Bulk packaging: confirmed by inquiry
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Available Pack Sizes & Stock

Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 2712-78-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g >95% 5 In Stock Hong Kong Inquiry
10g >95% 5 In Stock Shanghai Inquiry
25g >95% 5 In Stock Hong Kong Inquiry
100g >95% 5 In Stock Beijing Inquiry
500g >95% 5 In Stock Shanghai Inquiry

2712-78-9 / [phenyl-(2,2,2-trifluoroacetyl)oxy-lambda3-iodanyl] 2,2,2-trifluoroacetate

Standard CAS: 2712-78-9 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
2712-78-9
Multi CAS
Yes
Molecular Formula
C10H5F6IO4
Molecular Weight
430.040000
Exact Mass
429.913680
InChI
InChI=1S/C10H5F6IO4/c11-9(12,13)7(18)20-17(6-4-2-1-3-5-6)21-8(19)10(14,15)16/h1-5H
InChIKey
PEZNEXFPRSOYPL-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
21
Aromatic heavy atom count
6
Fraction Csp3
0.2
Rotatable bonds
3
H-bond acceptors
4
Molar refractivity
63.45
TPSA
52.6

LogP / Solubility

WLOGP
3.4
MLOGP
3.02
XLogP3
5
Consensus LogP
3.81
Log S (ESOL)
-4.66
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.54
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.64
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.93

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5

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