CAS RN: 179897-89-3
5-Bromo-2-fluorobenzonitrile
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.20250617 | 1g / 5g / 25g / 100g / 500g | Confirm by inquiry | Shanghai, Shandong | Inquiry |
- Product code: SSC-080227
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, 500g, 1000g
- Available purity: ≥98%
- Inventory rows with stock: 3
- 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% | 5 In Stock | Hong Kong | Inquiry |
| 5g | ≥98% | 5 In Stock | Shenzhen | Inquiry |
| 10g | ≥98% | 5 In Stock | Beijing | Inquiry |
| 25g | ≥98% | 0 Out of Stock | Beijing | Inquiry |
| 100g | ≥98% | 0 Out of Stock | Shanghai | Inquiry |
| 500g | ≥98% | 0 Out of Stock | Shenzhen | Inquiry |
| 1000g | ≥98% | 0 Out of Stock | Shanghai | Inquiry |
179897-89-3 / 5-bromo-2-fluorobenzonitrile
Basic Information
CAS
179897-89-3
Multi CAS
No
Molecular Formula
C7H3BrFN
Molecular Weight
200.010000
Exact Mass
198.943290
SMILES
C1=CC(=C(C=C1Br)C#N)F
InChI
InChI=1S/C7H3BrFN/c8-6-1-2-7(9)5(3-6)4-10/h1-3H
InChIKey
GYCNHFWRPJXTSB-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
10
Aromatic heavy atom count
6
H-bond acceptors
1
Molar refractivity
38.82
TPSA
23.79
LogP / Solubility
WLOGP
2.46
MLOGP
2.16
XLogP3
2.4
Consensus LogP
2.34
Log S (ESOL)
-3.07
Class (ESOL)
Poorly soluble
Log S (Ali)
-2.98
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3
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)
-2.19
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
Safety & Transport
Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H302 (92%): Harmful if swallowed [Warning Acute toxicity, oral]
H312 (92%): Harmful in contact with skin [Warning Acute toxicity, dermal]
H315 (98%): Causes skin irritation [Warning Skin corrosion/irritation]
H319 (98%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
H332 (92%): 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
