CAS RN: 105946-82-5
4-Bromo-4′-iodobiphenyl
Product Availability
Choose a grade to view its available package options.
6 package records6 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20250729 | 100g | In stock | Shanghai, Shenzhen, Tianjin, Wuhan | Inquiry | |
| Batchno.20250518 | 1kg | In stock | Shanghai | Inquiry | |
| Batchno.20251223 | 25g | In stock | Shanghai, Shenzhen, Chengdu | Inquiry | |
| Batchno.20250906 | 500g | In stock | Shanghai, Tianjin | Inquiry | |
| Batchno.20250630 | 5g | In stock | Shanghai, Shenzhen, Tianjin, Chengdu | Inquiry | |
| Batchno.20260120 | 5g / 25g / 100g / 500g | Confirm by inquiry | Shanghai, Shandong | 5-7 business days | Inquiry |
- Product code: ICTB3648
- Purity/Analytical Methods: >98.0%(GC)
105946-82-5 / 1-bromo-4-(4-iodophenyl)benzene
4-Bromo-4'-iodobiphenyl | DTXSID00447855 | RefChem:290903
Basic Information
CAS
105946-82-5
Multi CAS
Yes
Molecular Formula
C12H8BrI
Molecular Weight
359.000000
Exact Mass
357.885410
SMILES
C1=CC(=CC=C1C2=CC=C(C=C2)I)Br
InChI
InChI=1S/C12H8BrI/c13-11-5-1-9(2-6-11)10-3-7-12(14)8-4-10/h1-8H
InChIKey
GWOAJJWBCSUGHH-UHFFFAOYSA-N
Synonyms
4-Bromo-4'-iodobiphenyl
DTXSID00447855
RefChem:290903
DTXCID00398676
4-Bromo-4'-iodo-1,1'-biphenyl
Computed Properties
Structural Parameters
Heavy atom count
14
Aromatic heavy atom count
12
Rotatable bonds
1
Molar refractivity
72.3
TPSA
0.0000
LogP / Solubility
WLOGP
4.72
MLOGP
4.17
XLogP3
5.7
Consensus LogP
4.86
Log S (ESOL)
-5.61
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.91
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.03
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-1.56
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
Environmental Hazard
Signal
Warning
GHS Hazard Statements
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
H317 (100%): May cause an allergic skin reaction [Warning Sensitization, Skin]
H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P261, P264, P264+P265, P270, P271, P272, P273, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P333+P317, P337+P317, P362+P364, P391, P403+P233, P405, and P501
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