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CAS 206559-43-5 5-BROMO-2-IODO-M-XYLENE molecular structure lightbox
CAS RN: 206559-43-5

5-BROMO-2-IODO-M-XYLENE

Product Availability

Choose a grade to view its available package options.

7 package records7 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250916 100g In stock Inquiry
Batchno.20250703 10g In stock Inquiry
Batchno.20260531 1g In stock Inquiry
Batchno.20260417 25g In stock Inquiry
Batchno.20260503 5g In stock Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250508 100g In stock Shanghai Inquiry
Batchno.20260409 25g In stock Shanghai, Shandong Inquiry
  • Product code: SSC-097328
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Verified Factory Data

Supply Overview & Packaging Options

Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.

  • Pack sizes on record: 1g, 5g, 10g, 25g, 100g
  • Available purity: ≥98%
  • Inventory rows with stock: 1
  • Bulk packaging: confirmed by inquiry
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Available Pack Sizes & Stock

Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 206559-43-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥98% 1 In Stock Beijing Inquiry
5g ≥98% 0 Out of Stock Shanghai Inquiry
10g ≥98% 0 Out of Stock Beijing Inquiry
25g ≥98% 0 Out of Stock Beijing Inquiry
100g ≥98% 0 Out of Stock Shenzhen Inquiry

206559-43-5 / 5-bromo-2-iodo-1,3-dimethylbenzene

Standard CAS: 206559-43-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
206559-43-5
Multi CAS
No
Molecular Formula
C8H8BrI
Molecular Weight
310.960000
Exact Mass
309.885410
SMILES
CC1=CC(=CC(=C1I)C)Br
InChI
InChI=1S/C8H8BrI/c1-5-3-7(9)4-6(2)8(5)10/h3-4H,1-2H3
InChIKey
BSIRLLZFIVAHES-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
10
Aromatic heavy atom count
6
Fraction Csp3
0.25
Molar refractivity
56.33
TPSA
0.0000

LogP / Solubility

WLOGP
3.67
MLOGP
3.24
XLogP3
4
Consensus LogP
3.64
Log S (ESOL)
-4.52
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.76
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.73
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
No
Log Kp (skin permeation)
-2.01

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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