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CAS 20555-91-3 1,2-Dichloro-4-iodobenzene molecular structure lightbox
CAS RN: 20555-91-3

1,2-Dichloro-4-iodobenzene

Product Availability

Choose a grade to view its available package options.

8 package records8 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260430 100g In stock Inquiry
Batchno.20250204 10g In stock Inquiry
Batchno.20260525 250g In stock Inquiry
Batchno.20260104 25g In stock Inquiry
Batchno.20251201 50g In stock Inquiry
Batchno.20251209 5g In stock Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260222 10g In stock Shanghai, Shandong Inquiry
Batchno.20260124 50g In stock Shandong Inquiry
  • Product code: SSC-096751
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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: 10g, 25g, 100g
  • 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 20555-91-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
10g ≥97% 0 Out of Stock Beijing Inquiry
25g ≥97% 0 Out of Stock Beijing Inquiry
100g ≥97% 0 Out of Stock Beijing Inquiry

20555-91-3 / 1,2-dichloro-4-iodobenzene

Standard CAS: 20555-91-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
20555-91-3
Multi CAS
No
Molecular Formula
C6H3Cl2I
Molecular Weight
272.890000
Exact Mass
271.865650
SMILES
C1=CC(=C(C=C1I)Cl)Cl
InChI
InChI=1S/C6H3Cl2I/c7-5-2-1-4(9)3-6(5)8/h1-3H
InChIKey
NADPFZNWCQIJJW-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
9
Aromatic heavy atom count
6
Molar refractivity
49.18
TPSA
0.0000

LogP / Solubility

WLOGP
3.6
MLOGP
3.17
XLogP3
4.3
Consensus LogP
3.69
Log S (ESOL)
-4.29
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.4
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.42
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)
-1.83

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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