CAS RN: 198477-89-3
5′-Bromo-2′-fluoroacetophenone
Product Availability
Choose a grade to view its available package options.
4 package records4 with current stock2 grade groups
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20260613 | 1g / 5g / 25g / 100g / 500g | Confirm by inquiry | Shandong | 5-7 business days | Inquiry |
- Product code: SSC-093515
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: ≥97%
- 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 | ≥97% | 5 In Stock | Shanghai | Inquiry |
| 5g | ≥97% | 5 In Stock | Beijing | Inquiry |
| 10g | ≥97% | 5 In Stock | Hong Kong | Inquiry |
| 25g | ≥97% | 4 In Stock | Hong Kong | Inquiry |
| 100g | ≥97% | 3 In Stock | Beijing | Inquiry |
198477-89-3 / 1-(5-bromo-2-fluorophenyl)ethanone
Basic Information
CAS
198477-89-3
Multi CAS
No
Molecular Formula
C8H6BrFO
Molecular Weight
217.030000
Exact Mass
215.958610
SMILES
CC(=O)C1=C(C=CC(=C1)Br)F
InChI
InChI=1S/C8H6BrFO/c1-5(11)7-4-6(9)2-3-8(7)10/h2-4H,1H3
InChIKey
XNRQIHIOKXQSPG-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
11
Aromatic heavy atom count
6
Fraction Csp3
0.12
Rotatable bonds
1
H-bond acceptors
1
Molar refractivity
44.1
TPSA
17.07
LogP / Solubility
WLOGP
2.79
MLOGP
2.46
XLogP3
2.4
Consensus LogP
2.55
Log S (ESOL)
-3.28
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.35
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.51
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)
-2.06
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 (72.7%): Harmful if swallowed [Warning Acute toxicity, oral]
H315 (45.5%): Causes skin irritation [Warning Skin corrosion/irritation]
H319 (45.5%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
H335 (36.4%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
