CAS RN: 1194-02-1
4-Fluorobenzonitrile
Product Availability
Choose a grade to view its available package options.
2 package records2 with current stock2 grade groups
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250903 | 1g / 5g / 25g / 100g / 500g | Confirm by inquiry | Shanghai, Shandong, Guangdong | Inquiry |
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20260527 | 5g / 25g / 100g / 500g / 2.5kg | Confirm by inquiry | Chongqing, Hebei, Shanghai, Shandong | Inquiry |
- Product code: SSC-019931
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, 1000g, 500g
- Available purity: >98%
- Inventory rows with stock: 6
- 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 | >98% | 5 In Stock | Shanghai | Inquiry |
| 10g | >98% | 5 In Stock | Shenzhen | Inquiry |
| 25g | >98% | 5 In Stock | Beijing | Inquiry |
| 100g | >98% | 5 In Stock | Hong Kong | Inquiry |
| 1000g | >98% | 4 In Stock | Shenzhen | Inquiry |
| 500g | >98% | 3 In Stock | Shenzhen | Inquiry |
1194-02-1 / 4-fluorobenzonitrile
4-Fluorobenzonitrile | Benzonitrile, 4-fluoro- | 4-CYANOFLUOROBENZENE
Basic Information
CAS
1194-02-1
Multi CAS
Yes
Molecular Formula
C7H4FN
Molecular Weight
121.110000
Exact Mass
121.032777
SMILES
C1=CC(=CC=C1C#N)F
InChI
InChI=1S/C7H4FN/c8-7-3-1-6(5-9)2-4-7/h1-4H
InChIKey
AEKVBBNGWBBYLL-UHFFFAOYSA-N
Synonyms
4-Fluorobenzonitrile
Benzonitrile, 4-fluoro-
4-CYANOFLUOROBENZENE
4-fluorocyanobenzene
EINECS 214-784-9
Computed Properties
Structural Parameters
Heavy atom count
9
Aromatic heavy atom count
6
H-bond acceptors
1
Molar refractivity
31.11
TPSA
23.79
LogP / Solubility
WLOGP
1.7
MLOGP
1.48
XLogP3
2.1
Consensus LogP
1.76
Log S (ESOL)
-2.15
Class (ESOL)
Moderately soluble
Log S (Ali)
-1.78
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.86
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)
-2.25
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)
Flammable
Irritant
Signal
Danger
GHS Hazard Statements
H228 (13.6%): Flammable solid [Danger Flammable solids]
H302 (96.6%): Harmful if swallowed [Warning Acute toxicity, oral]
H312 (96.6%): Harmful in contact with skin [Warning Acute toxicity, dermal]
H315 (16.9%): Causes skin irritation [Warning Skin corrosion/irritation]
H319 (16.9%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
Precautionary Statement Codes
P210, P240, P241, 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, P370+P378, P403+P233, P405, and P501
