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CAS 591-50-4 Iodobenzene molecular structure lightbox
CAS RN: 591-50-4

Iodobenzene

Product Availability

Choose a grade to view its available package options.

4 package records4 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250727 100g In stock Shanghai, Shenzhen, Tianjin, Wuhan, Chengdu Inquiry
Batchno.20250627 10g In stock Shanghai, Shenzhen Inquiry
Batchno.20250515 25g In stock Shanghai, Shenzhen, Tianjin, Wuhan, Chengdu Inquiry
Batchno.20251101 500g In stock Shanghai, Shenzhen, Tianjin, Wuhan, Chengdu Inquiry
  • Product code: SSC-167494
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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, 100g, 500g, 1000g
  • 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 591-50-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
25g ≥98% 0 Out of Stock Shenzhen Inquiry
100g ≥98% 0 Out of Stock Beijing Inquiry
500g ≥98% 0 Out of Stock Shenzhen Inquiry
1000g ≥98% 0 Out of Stock Hong Kong Inquiry

591-50-4 / iodobenzene

Standard CAS: 591-50-4 Multi CAS: No
Basic Information Physical Properties Computed Properties

Basic Information

CAS
591-50-4
Multi CAS
No
Molecular Formula
C6H5I
Molecular Weight
204.010000
Exact Mass
203.943600
InChI
InChI=1S/C6H5I/c7-6-4-2-1-3-5-6/h1-5H
InChIKey
SNHMUERNLJLMHN-UHFFFAOYSA-N

Physical Properties

Melting Point
-31.3 °C
Boiling Point
188.4 °C
Density
1.808 g/cu cm at 20 °C
Physical Description
Colorless liquid; [Merck Index]
Appearance
Liquid
State
Liquid

Computed Properties

Structural Parameters

Heavy atom count
7
Aromatic heavy atom count
6
Molar refractivity
39.16
TPSA
0.0000

LogP / Solubility

WLOGP
2.29
MLOGP
2.02
XLogP3
3.2
Consensus LogP
2.5
Log S (ESOL)
-3.18
Class (ESOL)
Poorly soluble
Log S (Ali)
-2.89
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.89
Class (SILICOS-IT)
Moderately 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)
-2.34

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

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