CAS RN: 105931-73-5
1-Bromo-3-fluoro-4-iodobenzene
Product Availability
Choose a grade to view its available package options.
4 package records4 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250913 | 100g | In stock | Shanghai, Shenzhen, Tianjin, Wuhan, Chengdu | Inquiry |
| Batchno.20260414 | 10g | In stock | Shanghai, Shenzhen, Wuhan | Inquiry |
| Batchno.20250706 | 25g | In stock | Shanghai, Shenzhen, Tianjin, Wuhan, Chengdu | Inquiry |
| Batchno.20260314 | 500g | In stock | Shanghai | Inquiry |
- Product code: SSC-007581
Verified Factory Data
Supply Overview & Packaging Options
Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.
- Pack sizes on record: 100g, 25g, 500g
- Available purity: >98%
- Inventory rows with stock: 3
- Bulk packaging: confirmed by inquiry
Available Pack Sizes & Stock
Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.
105931-73-5 / 4-bromo-2-fluoro-1-iodobenzene
4-bromo-2-fluoro-1-iodobenzene | RefChem:519665 | 629-334-0
Basic Information
CAS
105931-73-5
Multi CAS
Yes
Molecular Formula
C6H3BrFI
Molecular Weight
300.890000
Exact Mass
299.844690
SMILES
C1=CC(=C(C=C1Br)F)I
InChI
InChI=1S/C6H3BrFI/c7-4-1-2-6(9)5(8)3-4/h1-3H
InChIKey
XRMZKCQCINEBEI-UHFFFAOYSA-N
Synonyms
4-bromo-2-fluoro-1-iodobenzene
RefChem:519665
629-334-0
1-Bromo-3-fluoro-4-iodobenzene
3-Fluoro-4-iodobromobenzene
Computed Properties
Structural Parameters
Heavy atom count
9
Aromatic heavy atom count
6
H-bond acceptors
1
Molar refractivity
46.82
TPSA
0.0000
LogP / Solubility
WLOGP
3.19
MLOGP
2.82
XLogP3
3.4
Consensus LogP
3.14
Log S (ESOL)
-4.21
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.33
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.27
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.29
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
Safety & Transport
Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H302 (42.2%): Harmful if swallowed [Warning Acute toxicity, oral]
H312 (42.2%): Harmful in contact with skin [Warning Acute toxicity, dermal]
H315 (97.8%): Causes skin irritation [Warning Skin corrosion/irritation]
H319 (97.8%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
H332 (42.2%): Harmful if inhaled [Warning Acute toxicity, inhalation]
Precautionary Statement Codes
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
