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CAS 23399-77-1 5-CHLORO-2-IODOBENZOTRIFLUORIDE molecular structure lightbox
CAS RN: 23399-77-1

5-CHLORO-2-IODOBENZOTRIFLUORIDE

Product Availability

Choose a grade to view its available package options.

9 package records9 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250715 100g In stock Inquiry
Batchno.20251227 25g In stock Inquiry
Batchno.20250327 500g In stock Inquiry
Batchno.20250314 5g In stock Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260628 100g In stock Shanghai Inquiry
Batchno.20250824 25g In stock Shanghai, Tianjin Inquiry
Batchno.20260206 500g In stock Shanghai Inquiry
Batchno.20250516 5g In stock Shanghai Inquiry
Batchno.20260123 5g / 25g Confirm by inquiry Shanghai Inquiry
  • Product code: SSC-113131
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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: 25g
  • Available purity: ≥95%
  • 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 23399-77-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
25g ≥95% 0 Out of Stock Beijing Inquiry

23399-77-1 / 4-chloro-1-iodo-2-(trifluoromethyl)benzene

Standard CAS: 23399-77-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
23399-77-1
Multi CAS
No
Molecular Formula
C7H3ClF3I
Molecular Weight
306.450000
Exact Mass
305.892010
SMILES
C1=CC(=C(C=C1Cl)C(F)(F)F)I
InChI
InChI=1S/C7H3ClF3I/c8-4-1-2-6(12)5(3-4)7(9,10)11/h1-3H
InChIKey
DRMQJFVDZWIKTE-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.14
H-bond acceptors
3
Molar refractivity
49.17
TPSA
0.0000

LogP / Solubility

WLOGP
3.96
MLOGP
3.5
XLogP3
4.1
Consensus LogP
3.85
Log S (ESOL)
-4.61
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.93
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.94
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.78

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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