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CAS 2708-97-6 1,2-DIIODOTETRAFLUOROBENZENE molecular structure lightbox
CAS RN: 2708-97-6

1,2-DIIODOTETRAFLUOROBENZENE

Product Availability

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4 package records3 with current stock1 grade group
Batch No.PackageAvailabilityInquiry
Batchno.20250807 1g In stock Inquiry
Batchno.20250424 250mg In stock Inquiry
Batchno.20251023 25g Out of stock Inquiry
Batchno.20250129 5g In stock Inquiry
  • Product code: SSC-125785
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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: ＞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 2708-97-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ＞97% 0 Out of Stock Beijing Inquiry

2708-97-6 / 1,2,3,4-tetrafluoro-5,6-diiodobenzene

Standard CAS: 2708-97-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
2708-97-6
Multi CAS
No
Molecular Formula
C6F4I2
Molecular Weight
401.870000
Exact Mass
401.802560
SMILES
C1(=C(C(=C(C(=C1F)I)I)F)F)F
InChI
InChI=1S/C6F4I2/c7-1-2(8)4(10)6(12)5(11)3(1)9
InChIKey
JQBYIZAYQMMVTO-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
6
H-bond acceptors
4
Molar refractivity
51.71
TPSA
0.0000

LogP / Solubility

WLOGP
3.45
MLOGP
3.06
XLogP3
3.6
Consensus LogP
3.37
Log S (ESOL)
-4.88
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.35
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.14
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)
-2.72

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

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