CAS RN: 1897-52-5
2,6-Difluorobenzonitrile
Product Availability
Choose a grade to view its available package options.
6 package records6 with current stock2 grade groups
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250709 | 5g / 25g / 100g / 500g / 2.5kg | Confirm by inquiry | Shanghai, Shandong, Hebei, Guangdong | Inquiry |
- Product code: SSC-088842
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: 25g, 10g, 100g, 500g, 1000g
- Available purity: ≥98%
- 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 |
|---|---|---|---|---|
| 25g | -- | 5 In Stock | Shanghai | Inquiry |
| 25g | ≥98% | 5 In Stock | Shanghai | Inquiry |
| 10g | -- | 2 In Stock | Shenzhen | Inquiry |
| 10g | ≥98% | 2 In Stock | Shanghai | Inquiry |
| 100g | -- | 0 Out of Stock | Shanghai | Inquiry |
| 100g | ≥98% | 0 Out of Stock | Shanghai | Inquiry |
| 500g | -- | 0 Out of Stock | Shanghai | Inquiry |
| 500g | ≥98% | 0 Out of Stock | Shenzhen | Inquiry |
| 1000g | -- | 0 Out of Stock | Hong Kong | Inquiry |
1897-52-5 / 2,6-difluorobenzonitrile
Basic Information
CAS
1897-52-5
Multi CAS
No
Molecular Formula
C7H3F2N
Molecular Weight
139.100000
Exact Mass
139.023355
SMILES
C1=CC(=C(C(=C1)F)C#N)F
InChI
InChI=1S/C7H3F2N/c8-6-2-1-3-7(9)5(6)4-10/h1-3H
InChIKey
BNBRIFIJRKJGEI-UHFFFAOYSA-N
Physical Properties
Physical Description
Dry Powder
Low melting solid; Melting point = 30-32 deg C; Colorless crystals; [Ullmann]
State
Solid
Computed Properties
Structural Parameters
Heavy atom count
10
Aromatic heavy atom count
6
H-bond acceptors
1
Molar refractivity
31.07
TPSA
23.79
LogP / Solubility
WLOGP
1.84
MLOGP
1.61
XLogP3
1.8
Consensus LogP
1.75
Log S (ESOL)
-2.3
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.03
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.09
Class (SILICOS-IT)
Moderately 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)
-2.26
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)
Irritant
Signal
Warning
GHS Hazard Statements
H302 (97.5%): Harmful if swallowed [Warning Acute toxicity, oral]
H312 (70.6%): Harmful in contact with skin [Warning Acute toxicity, dermal]
H315 (40.3%): Causes skin irritation [Warning Skin corrosion/irritation]
H319 (40.3%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
H332 (69.7%): 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
