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CAS 444-29-1 2-Iodobenzotrifluoride (stabilized with Copper chip) molecular structure lightbox
CAS RN: 444-29-1

2-Iodobenzotrifluoride (stabilized with Copper chip)

Product Availability

Choose a grade to view its available package options.

5 package records5 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250513 100g In stock Inquiry
Batchno.20251005 25g In stock Inquiry
Batchno.20250113 500g In stock Inquiry
Batchno.20260228 5g In stock Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250503 5g / 25g / 100g / 500g Confirm by inquiry Shanghai, Shandong Inquiry
  • Product code: SSC-152407
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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 444-29-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥98% 0 Out of Stock Hong Kong 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 Beijing Inquiry

444-29-1 / 1-iodo-2-(trifluoromethyl)benzene

Standard CAS: 444-29-1 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
444-29-1
Multi CAS
Yes
Molecular Formula
C7F3H4I
Molecular Weight
272.010000
Exact Mass
271.930980
InChI
InChI=1S/C7H4F3I/c8-7(9,10)5-3-1-2-4-6(5)11/h1-4H
InChIKey
IGZGUYVVBABKOY-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
3.5
Consensus LogP
3.24
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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