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CAS 591-18-4 1-Bromo-3-iodobenzene (stabilized with Copper chip) molecular structure lightbox
CAS RN: 591-18-4

1-Bromo-3-iodobenzene (stabilized with Copper chip)

Product Availability

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2 package records1 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250823 5g / 25g / 100g / 500g Confirm by inquiry Shanghai, Guangdong, Chongqing Inquiry
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250107 5g Out of stock 8-10 business days Inquiry
  • Product code: SSC-167487
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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, 500g
  • 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 591-18-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
10g ≥98% 0 Out of Stock Shenzhen Inquiry
25g ≥98% 0 Out of Stock Beijing Inquiry
100g ≥98% 0 Out of Stock Beijing Inquiry
500g ≥98% 0 Out of Stock Shanghai Inquiry

591-18-4 / 1-bromo-3-iodobenzene

Standard CAS: 591-18-4 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
591-18-4
Multi CAS
Yes
Molecular Formula
C6H4BRI
Molecular Weight
282.900000
Exact Mass
281.854110
InChI
InChI=1S/C6H4BrI/c7-5-2-1-3-6(8)4-5/h1-4H
InChIKey
CTPUUDQIXKUAMO-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
8
Aromatic heavy atom count
6
Molar refractivity
46.86
TPSA
0.0000

LogP / Solubility

WLOGP
3.05
MLOGP
2.7
XLogP3
4
Consensus LogP
3.25
Log S (ESOL)
-4.07
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.08
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.03
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)
-2.28

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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