CAS RN: 456-42-8
3-Fluorobenzyl Chloride
Product Availability
Choose a grade to view its available package options.
10 package records10 with current stock2 grade groups
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250216 | 100g | In stock | Shanghai, Shandong | Inquiry |
| Batchno.20250907 | 2.5kg | In stock | Shandong | Inquiry |
| Batchno.20260119 | 25g | In stock | Shanghai, Guangdong, Chongqing | Inquiry |
| Batchno.20250702 | 500g | In stock | Shanghai | Inquiry |
| Batchno.20260409 | 5g | In stock | Shanghai, Shandong, Chongqing, Hebei | Inquiry |
- Product code: ICTF0210
- Purity/Analytical Methods: >95.0%(GC)
456-42-8 / 1-(chloromethyl)-3-fluorobenzene
Basic Information
CAS
456-42-8
Multi CAS
Yes
Molecular Formula
C7H6CLF
Molecular Weight
144.570000
Exact Mass
144.014206
InChI
InChI=1S/C7H6ClF/c8-5-6-2-1-3-7(9)4-6/h1-4H,5H2
InChIKey
XBDXMDVEZLOGMC-UHFFFAOYSA-N
Physical Properties
Physical Description
Colorless liquid with a pungent odor
State
Liquid
Computed Properties
Structural Parameters
Heavy atom count
9
Aromatic heavy atom count
6
Fraction Csp3
0.14
Rotatable bonds
1
H-bond acceptors
1
Molar refractivity
35.96
TPSA
0.0000
LogP / Solubility
WLOGP
2.56
MLOGP
2.25
XLogP3
2.8
Consensus LogP
2.54
Log S (ESOL)
-2.78
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.6
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.85
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)
-1.78
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
Customers Also Viewed
-
(2-Chloro-3-fluorophenyl)hydrazine Hydrochloride
- CAS RN: 1138036-54-0
- Product Code: SSC-013801
-
-
-
-
-
