CAS RN: 123843-57-2
2,6-Difluoro-4-hydroxybenzonitrile
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20260311 | 5g / 25g / 100g | Confirm by inquiry | Shanghai | Inquiry |
- Product code: SSC-027499
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: 1g, 5g, 10g, 25g, 100g
- Available purity: >98%
- Inventory rows with stock: 5
- 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 |
|---|---|---|---|---|
| 1g | >98% | 1 In Stock | Hong Kong | Inquiry |
| 5g | >98% | 1 In Stock | Beijing | Inquiry |
| 10g | >98% | 1 In Stock | Shenzhen | Inquiry |
| 25g | >98% | 1 In Stock | Beijing | Inquiry |
| 100g | >98% | 1 In Stock | Shenzhen | Inquiry |
123843-57-2 / 2,6-difluoro-4-hydroxybenzonitrile
Basic Information
CAS
123843-57-2
Multi CAS
No
Molecular Formula
C7H3F2NO
Molecular Weight
155.100000
Exact Mass
155.018270
SMILES
C1=C(C=C(C(=C1F)C#N)F)O
InChI
InChI=1S/C7H3F2NO/c8-6-1-4(11)2-7(9)5(6)3-10/h1-2,11H
InChIKey
KEIYYIGMDPTAPL-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
11
Aromatic heavy atom count
6
H-bond acceptors
2
H-bond donors
1
Molar refractivity
32.74
TPSA
44.02
LogP / Solubility
WLOGP
1.54
MLOGP
1.35
XLogP3
1.5
Consensus LogP
1.46
Log S (ESOL)
-2.18
Class (ESOL)
Moderately soluble
Log S (Ali)
-1.95
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.95
Class (SILICOS-IT)
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)
-2.57
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
Safety & Transport
Pictogram(s)
Acute Toxic
Irritant
Signal
Danger
GHS Hazard Statements
H301 (40%): Toxic if swallowed [Danger Acute toxicity, oral]
H302 (60%): Harmful if swallowed [Warning Acute toxicity, oral]
H311 (40%): Toxic in contact with skin [Danger Acute toxicity, dermal]
H312 (60%): Harmful in contact with skin [Warning Acute toxicity, dermal]
H315 (80%): Causes skin irritation [Warning Skin corrosion/irritation]
Precautionary Statement Codes
P261, P262, P264, P264+P265, P270, P271, P280, P301+P316, P301+P317, P302+P352, P304+P340, P305+P351+P338, P316, P317, P319, P321, P330, P332+P317, P337+P317, P361+P364, P362+P364, P403+P233, P405, and P501
