CAS RN: 452-66-4
5-Chloro-2-fluorotoluene
Product Availability
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1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20260419 | 5g / 25g / 100g / 500g | Confirm by inquiry | Shandong | 5-7 business days | Inquiry |
- Product code: SSC-152998
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
- Available purity: >97%
- Inventory rows with stock: 2
- 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.
452-66-4 / 4-chloro-1-fluoro-2-methylbenzene
Basic Information
CAS
452-66-4
Multi CAS
No
Molecular Formula
C7H6CLF
Molecular Weight
144.570000
Exact Mass
144.014206
InChI
InChI=1S/C7H6ClF/c1-5-4-6(8)2-3-7(5)9/h2-4H,1H3
InChIKey
JOXXHDGUTVUBDL-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
9
Aromatic heavy atom count
6
Fraction Csp3
0.14
H-bond acceptors
1
Molar refractivity
36.15
TPSA
0.0000
LogP / Solubility
WLOGP
2.79
MLOGP
2.45
XLogP3
3.2
Consensus LogP
2.81
Log S (ESOL)
-2.99
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.76
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.91
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)
-1.62
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
