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CAS 186772-43-0 Benzene, 1-bromo-3-(1,1-dimethylethyl)-5-iodo- molecular structure lightbox
CAS RN: 186772-43-0

Benzene, 1-bromo-3-(1,1-dimethylethyl)-5-iodo-

Product Availability

Choose a grade to view its available package options.

5 package records5 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250616 100g In stock Shanghai Inquiry
Batchno.20250716 1g In stock Shanghai, Shenzhen, Tianjin, Wuhan, Chengdu Inquiry
Batchno.20250918 250mg In stock Shanghai, Shenzhen, Tianjin, Wuhan, Chengdu Inquiry
Batchno.20260208 25g In stock Shanghai, Tianjin Inquiry
Batchno.20260318 5g In stock Shanghai, Shenzhen, Tianjin Inquiry
  • Product code: SSC-086811
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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: 1g, 5g, 10g, 25g
  • 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 186772-43-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Shanghai Inquiry
5g ＞97% 0 Out of Stock Beijing Inquiry
10g ＞97% 0 Out of Stock Shanghai Inquiry
25g ＞97% 0 Out of Stock Shanghai Inquiry

186772-43-0 / 1-bromo-3-tert-butyl-5-iodobenzene

Standard CAS: 186772-43-0 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
186772-43-0
Multi CAS
No
Molecular Formula
C10H12BrI
Molecular Weight
339.010000
Exact Mass
337.916710
SMILES
CC(C)(C)C1=CC(=CC(=C1)I)Br
InChI
InChI=1S/C10H12BrI/c1-10(2,3)7-4-8(11)6-9(12)5-7/h4-6H,1-3H3
InChIKey
QOBRAZDMDGZKHL-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.4
Rotatable bonds
1
Molar refractivity
65.56
TPSA
0.0000

LogP / Solubility

WLOGP
4.35
MLOGP
3.85
XLogP3
4.9
Consensus LogP
4.37
Log S (ESOL)
-5.05
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.48
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.48
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)
-1.7

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

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement Codes
P264, P270, P301+P317, P330, and P501

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