CAS RN: 13697-89-7
1,3-Difluoro-2-iodobenzene
Product Availability
Choose a grade to view its available package options.
11 package records11 with current stock2 grade groups
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250209 | 100g | In stock | Shanghai, Shenzhen, Tianjin | Inquiry |
| Batchno.20250322 | 10g | In stock | Shanghai, Shenzhen, Chengdu | Inquiry |
| Batchno.20250819 | 1kg | In stock | Shanghai | Inquiry |
| Batchno.20260510 | 25g | In stock | Shanghai, Shenzhen, Tianjin, Chengdu | Inquiry |
| Batchno.20260611 | 25g / 100g / 500g | Confirm by inquiry | Shanghai, Chongqing | Inquiry |
| Batchno.20250618 | 500g | In stock | Shanghai | Inquiry |
| Batchno.20251003 | 5g | In stock | Shanghai, Tianjin | Inquiry |
- Product code: SSC-046388
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: 5g, 10g, 25g, 100g, 500g
- Available purity: >97%
- Inventory rows with stock: 4
- 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.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 5g | >97% | 5 In Stock | Hong Kong | Inquiry |
| 10g | >97% | 5 In Stock | Shanghai | Inquiry |
| 25g | >97% | 5 In Stock | Hong Kong | Inquiry |
| 100g | >97% | 5 In Stock | Beijing | Inquiry |
| 500g | >97% | 0 Out of Stock | Shanghai | Inquiry |
13697-89-7 / 1,3-difluoro-2-iodobenzene
Basic Information
CAS
13697-89-7
Multi CAS
No
Molecular Formula
C6H3F2I
Molecular Weight
239.990000
Exact Mass
239.924750
SMILES
C1=CC(=C(C(=C1)F)I)F
InChI
InChI=1S/C6H3F2I/c7-4-2-1-3-5(8)6(4)9/h1-3H
InChIKey
VQMXWPLTZBKNEH-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
9
Aromatic heavy atom count
6
H-bond acceptors
2
Molar refractivity
39.08
TPSA
0.0000
LogP / Solubility
WLOGP
2.57
MLOGP
2.27
XLogP3
2.8
Consensus LogP
2.55
Log S (ESOL)
-3.44
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.38
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.35
Class (SILICOS-IT)
Poorly 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)
-2.36
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
H227 (25%): Combustible liquid [Warning Flammable liquids]
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
H335 (75%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P210, P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403, P403+P233, P405, and P501
