CAS RN: 1643-73-8
4-FLUOROBENZYLMAGNESIUM CHLORIDE
Product Availability
Choose a grade to view its available package options.
2 package records1 with current stock1 grade group
- Product code: starshine_CAS1643-73-8
- Purity/Analytical Methods: >99.0%
1643-73-8 / magnesium;1-fluoro-4-methanidylbenzene;chloride
Basic Information
CAS
1643-73-8
Multi CAS
No
Molecular Formula
C7H6ClFMg
Molecular Weight
168.880000
Exact Mass
167.999248
SMILES
[CH2-]C1=CC=C(C=C1)F.[Mg+2].[Cl-]
InChI
InChI=1S/C7H6F.ClH.Mg/c1-6-2-4-7(8)5-3-6;;/h2-5H,1H2;1H;/q-1;;+2/p-1
InChIKey
JHMNJUQVLPODJN-UHFFFAOYSA-M
Computed Properties
Structural Parameters
Heavy atom count
10
Aromatic heavy atom count
6
H-bond acceptors
3
Molar refractivity
36.61
TPSA
0.0000
LogP / Solubility
WLOGP
-1.37
MLOGP
-1.21
XLogP3
-1.37
Consensus LogP
-1.32
Log S (ESOL)
-0.47
Class (ESOL)
Very soluble
Log S (Ali)
0.04
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
0.38
Class (SILICOS-IT)
Highly soluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-4.72
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
Safety & Transport
Pictogram(s)
Corrosive
Signal
Danger
GHS Hazard Statements
H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
Precautionary Statement Codes
P260, P264, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P363, P405, and P501
