CAS RN: 403-54-3
3-Fluorobenzonitrile
Product Availability
Choose a grade to view its available package options.
4 package records3 with current stock1 grade group
- Product code: SSC-148438
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, 25g, 100g, 500g
- Available purity: ≥98%
- Inventory rows with stock: 1
- 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.
403-54-3 / 3-fluorobenzonitrile
Basic Information
CAS
403-54-3
Multi CAS
No
Molecular Formula
C7FH4N
Molecular Weight
121.110000
Exact Mass
121.032777
InChI
InChI=1S/C7H4FN/c8-7-3-1-2-6(4-7)5-9/h1-4H
InChIKey
JZTPKAROPNTQQV-UHFFFAOYSA-N
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
1.5
Consensus LogP
1.56
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
Applications of CAS 403-54-3
This compound is commonly used in general chemistry research and laboratory applications. Starshine Chemical supplies CAS 403-54-3 for R&D and pilot-scale use, with flexible pack sizes and purity grades available.
Physical & Chemical Properties
| IUPAC Name | 3-fluorobenzonitrile |
Safety Information (GHS)
Pictogram(s): GHS05, GHS06, GHS07. Signal word: Danger.
- H302 (95.8%): Harmful if swallowed [Warning Acute toxicity, oral]
- H311 (12.5%): Toxic in contact with skin [Danger Acute toxicity, dermal]
- H315 (95.8%): Causes skin irritation [Warning Skin corrosion/irritation]
- H318 (83.3%): Causes serious eye damage [Danger Serious eye damage/eye irritation]
- H319 (12.5%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
- H332 (10.4%): Harmful if inhaled [Warning Acute toxicity, inhalation]
- H335 (93.8%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary statements: P261, P262, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P305+P354+P338, P316, P317, P319, P321, P330, P332+P317, P337+P317, P361+P364, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Request the SDS (Safety Data Sheet) for full hazard and safety documentation.
Storage & Handling
Storage: Keep the container tightly closed in a cool, dry and well-ventilated place. For detailed hazard, storage and transport information, request the SDS (Safety Data Sheet) with your inquiry.
Quotation & Packaging
Prices are confirmed by inquiry. Request a quote for current pricing, minimum order quantity (MOQ) and lead time. The pack sizes listed on this page are reference options; custom pack sizes and bulk quantities are available on request.
Quality & Compliance
Specifications and purity shown on this page are based on batch records. A Certificate of Analysis (COA) is available on request. For research and further manufacturing use only — not for direct human or therapeutic use.
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