CAS RN: 19821-80-8
1,3-Dibromo-2-iodobenzene
Product Availability
Choose a grade to view its available package options.
6 package records6 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20251221 | 100g | In stock | Shanghai, Shenzhen | Inquiry |
| Batchno.20260630 | 10g | In stock | Shanghai | Inquiry |
| Batchno.20260629 | 1g | In stock | Shanghai, Shenzhen, Wuhan, Chengdu | Inquiry |
| Batchno.20251114 | 250mg | In stock | Shanghai, Shenzhen, Tianjin, Wuhan, Chengdu | Inquiry |
| Batchno.20250425 | 25g | In stock | Shanghai, Shenzhen, Chengdu | Inquiry |
| Batchno.20250715 | 5g | In stock | Shanghai, Shenzhen, Tianjin, Wuhan, Chengdu | Inquiry |
- Product code: SSC-093406
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: 5g, 25g
- Available purity: ＞97%
- Inventory rows with stock: 0
- Bulk packaging: confirmed by inquiry
Reference Pack Sizes
Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.
19821-80-8 / 1,3-dibromo-2-iodobenzene
Basic Information
CAS
19821-80-8
Multi CAS
No
Molecular Formula
C6H3Br2I
Molecular Weight
361.800000
Exact Mass
361.762570
SMILES
C1=CC(=C(C(=C1)Br)I)Br
InChI
InChI=1S/C6H3Br2I/c7-4-2-1-3-5(8)6(4)9/h1-3H
InChIKey
OIFRMZVTJQAPIF-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
9
Aromatic heavy atom count
6
Molar refractivity
54.56
TPSA
0.0000
LogP / Solubility
WLOGP
3.82
MLOGP
3.38
XLogP3
4
Consensus LogP
3.73
Log S (ESOL)
-4.98
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.28
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.18
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
Yes
Log Kp (skin permeation)
-2.22
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
GHS Hazard Statements
H413 (97.5%): May cause long lasting harmful effects to aquatic life [Hazardous to the aquatic environment, long-term hazard]
Precautionary Statement Codes
P273, and P501
