CAS RN: 130137-05-2
4,5-DIFLUORO-2-IODOBENZOIC ACID
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.20251202 | 100g | In stock | Shanghai | Inquiry |
| Batchno.20260220 | 10g | In stock | Shanghai | Inquiry |
| Batchno.20260515 | 1g | In stock | Shanghai, Shenzhen, Wuhan, Chengdu | Inquiry |
| Batchno.20250723 | 250mg | In stock | Shanghai, Shenzhen, Wuhan | Inquiry |
| Batchno.20250512 | 25g | In stock | Shanghai | Inquiry |
| Batchno.20260127 | 5g | In stock | Shanghai, Tianjin | Inquiry |
- Product code: SSC-036839
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: 0.1g, 0.25g, 1g, 5g, 10g, 25g, 100g
- Available purity: >97%
- Inventory rows with stock: 2
- 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 |
|---|---|---|---|---|
| 0.1g | >97% | 1 In Stock | Shanghai | Inquiry |
| 0.25g | >97% | 1 In Stock | Beijing | Inquiry |
| 1g | >97% | 0 Out of Stock | Beijing | Inquiry |
| 5g | >97% | 0 Out of Stock | Hong Kong | Inquiry |
| 10g | >97% | 0 Out of Stock | Shenzhen | Inquiry |
| 25g | >97% | 0 Out of Stock | Beijing | Inquiry |
| 100g | >97% | 0 Out of Stock | Shenzhen | Inquiry |
130137-05-2 / 4,5-difluoro-2-iodobenzoic acid
Basic Information
CAS
130137-05-2
Multi CAS
No
Molecular Formula
C7H3F2IO2
Molecular Weight
284.000000
Exact Mass
283.914580
SMILES
C1=C(C(=CC(=C1F)F)I)C(=O)O
InChI
InChI=1S/C7H3F2IO2/c8-4-1-3(7(11)12)6(10)2-5(4)9/h1-2H,(H,11,12)
InChIKey
NHXDCVFTXJVUGK-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Aromatic heavy atom count
6
Rotatable bonds
1
H-bond acceptors
1
H-bond donors
1
Molar refractivity
46.03
TPSA
37.3
LogP / Solubility
WLOGP
2.27
MLOGP
2.01
XLogP3
2.3
Consensus LogP
2.19
Log S (ESOL)
-3.33
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.53
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.51
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)
-2.84
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 (50%): Harmful if swallowed [Warning Acute toxicity, oral]
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
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, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
Customers Also Viewed
-
7-amino-2,4-dimethyl-2H-1,4-benzoxazin-3(4H)-one(SALTDATA: FREE)
- CAS RN: 130137-40-5
- Product Code: SSC-036840
-
-
-
-
-
1,1,1-Trifluoro-2-[(2-Methoxyethoxy)Methoxy]-ethane
- CAS RN: 130156-55-7
- Product Code: SSC-036847
![CAS 130156-55-7 1,1,1-Trifluoro-2-[(2-Methoxyethoxy)Methoxy]-ethane molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/130156-55-7.gif)