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CAS 401-81-0 3-Iodobenzotrifluoride (stabilized with Copper chip) molecular structure lightbox
CAS RN: 401-81-0

3-Iodobenzotrifluoride (stabilized with Copper chip)

Product Availability

Choose a grade to view its available package options.

4 package records3 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20260404 10g / 25g / 50g Confirm by inquiry Shandong Inquiry
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20251224 100g Out of stock 5-7 business days Inquiry
Batchno.20250715 50g In stock Shandong Inquiry
Batchno.20250617 5g In stock Shanghai, Shandong Inquiry
  • Product code: SSC-148073
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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, 10g, 25g, 100g
  • Available purity: ≥98%
  • 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 401-81-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥98% 0 Out of Stock Beijing Inquiry
10g ≥98% 0 Out of Stock Hong Kong Inquiry
25g ≥98% 0 Out of Stock Hong Kong Inquiry
100g ≥98% 0 Out of Stock Shanghai Inquiry

401-81-0 / 1-iodo-3-(trifluoromethyl)benzene

Standard CAS: 401-81-0 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
401-81-0
Multi CAS
Yes
Molecular Formula
C7F3H4I
Molecular Weight
272.010000
Exact Mass
271.930980
InChI
InChI=1S/C7H4F3I/c8-7(9,10)5-2-1-3-6(11)4-5/h1-4H
InChIKey
IGISPMBUGPHLBY-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
6
Fraction Csp3
0.14
H-bond acceptors
3
Molar refractivity
44.16
TPSA
0.0000

LogP / Solubility

WLOGP
3.31
MLOGP
2.92
XLogP3
3.6
Consensus LogP
3.28
Log S (ESOL)
-4.02
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.18
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.18
Class (SILICOS-IT)
Slightly 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)
-2.03

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

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