CAS RN: 100-59-4
Phenylmagnesium Chloride (27% in Tetrahydrofuran, ca. 2mol/L)
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.20250427 | 100ml / 500ml / 800ml / 1L | Confirm by inquiry | Shanghai, Shandong | Inquiry |
- Product code: ICTP1381
100-59-4 / magnesium;benzene;chloride
PHENYLMAGNESIUM CHLORIDE | 100-59-4 | Magnesium, chlorophenyl-
Basic Information
CAS
100-59-4
Multi CAS
Yes
Molecular Formula
C6H5ClMg
Molecular Weight
136.860000
Exact Mass
135.993020
SMILES
C1=CC=[C-]C=C1.[Mg+2].[Cl-]
InChI
InChI=1S/C6H5.ClH.Mg/c1-2-4-6-5-3-1;;/h1-5H;1H;/q-1;;+2/p-1
InChIKey
IWCVDCOJSPWGRW-UHFFFAOYSA-M
Synonyms
PHENYLMAGNESIUM CHLORIDE
100-59-4
Magnesium, chlorophenyl-
Chlorophenylmagnesium
chloro(phenyl)magnesium
Physical Properties
Density
A solution which is about 3 molar has an approximate strength of 48%, and a density (20/4 °C) of about 1.15
Physical Description
Liquid
Solution in 73% tetrahydrofuran: Dark liquid
Appearance
Crystals
State
Solid
Computed Properties
Structural Parameters
Heavy atom count
8
Aromatic heavy atom count
6
H-bond acceptors
2
Molar refractivity
31.03
TPSA
0.0000
LogP / Solubility
WLOGP
-1.89
MLOGP
-1.67
XLogP3
-1.89
Consensus LogP
-1.82
Log S (ESOL)
-0.05
Class (ESOL)
Very soluble
Log S (Ali)
0.68
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
1.02
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)
-4.9
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)
Flammable
Corrosive
Signal
Danger
GHS Hazard Statements
H225 (77.4%): Highly Flammable liquid and vapor [Danger Flammable liquids]
H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
H318 (61%): Causes serious eye damage [Danger Serious eye damage/eye irritation]
Precautionary Statement Codes
P210, P233, P240, P241, P242, P243, P260, P264, P264+P265, P280, P301+P330+P331, P302+P361+P354, P303+P361+P353, P304+P340, P305+P354+P338, P316, P317, P321, P363, P370+P378, P403+P235, P405, and P501
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