Home > Compound List > Compound details
MFCD07784514 molecular structure
click picture or here to close

lithium(1+) ion chloro(propan-2-yl)magnesium chloride

ChemBase ID: 139689
Molecular Formular: C3H7Cl2LiMg
Molecular Mass: 145.23968
Monoisotopic Mass: 143.99352683
SMILES and InChIs

SMILES:
[Li+].CC(C)[Mg]Cl.[Cl-]
Canonical SMILES:
Cl[Mg]C(C)C.[Li+].[Cl-]
InChI:
InChI=1S/C3H7.2ClH.Li.Mg/c1-3-2;;;;/h3H,1-2H3;2*1H;;/q;;;2*+1/p-2
InChIKey:
CWTUREABAILGIK-UHFFFAOYSA-L

Cite this record

CBID:139689 http://www.chembase.cn/molecule-139689.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
lithium(1+) ion chloro(propan-2-yl)magnesium chloride
IUPAC Traditional name
lithium(1+) ion chloro(isopropyl)magnesium chloride
Synonyms
Turbo Grignard
Isopropylmagnesium chloride lithium chloride complex solution
异丙基氯化镁氯化锂络合物 溶液
MDL Number
MFCD07784514
PubChem SID
162233937
24884252
PubChem CID
11275082

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Sigma Aldrich
656984 external link Add to cart Please log in.
Data Source Data ID
PubChem 11275082 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 1.0008  LogD (pH = 7.4) 1.0008 
Log P 1.0008  Molar Refractivity 21.0282 cm3
Polarizability 10.105461 Å3 Polar Surface Area 0.0 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Flash Point
1.4 °F expand Show data source
-17 °C expand Show data source
Density
0.951 g/mL at 25 °C expand Show data source
European Hazard Symbols
Corrosive Corrosive (C) expand Show data source
Flammable Flammable (F) expand Show data source
UN Number
3399 expand Show data source
MSDS Link
Download expand Show data source
German water hazard class
3 expand Show data source
Hazard Class
4.3 expand Show data source
Packing Group
2 expand Show data source
Risk Statements
11-14/15-19-34-37 expand Show data source
Safety Statements
16-26-36/37/39-43-45 expand Show data source
GHS Pictograms
GHS02 expand Show data source
GHS05 expand Show data source
GHS07 expand Show data source
GHS Signal Word
Danger expand Show data source
GHS Hazard statements
H225-H314-H335 expand Show data source
GHS Precautionary statements
P210-P261-P280-P305 + P351 + P338-P310 expand Show data source
Personal Protective Equipment
Faceshields, full-face respirator (US), Gloves, Goggles, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter expand Show data source
RID/ADR
UN 3399 4.3/PG 2 expand Show data source
Supplemental Hazard Statements
May form explosive peroxides., Reacts violently with water. expand Show data source
Concentration
1.3 M in THF expand Show data source
Linear Formula
(CH3)2CHMgCl · LiCl expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - 656984 external link
Application
Reagent used with CH3MgCl/LiCl to affect magnesium-halogen exchange on unprotected aryl carboxylic acids.14
Reagent for Selective MetalationsUsed for:
• Preparation of functionalized acyclic alkenyl magnesium reagents/preparation of 1,2-diketones1
• Preparation of cyclic alkenyl and dienyl magnesium reagents2
• Preparation of functionalized triazenes/preparation of carbazoles3
• Regioselective functionalization of trisubstituted pyridines4
• Electrophilic amination for preparation of amines5
• Preparation of Grignards reagents in the presence of masked ketones and aldehydes (using readily deprotectable silylated cyanohydrins)6
• Preparation of Benzylic Grignards via Sulfur-Magnesium exchange7
• Functionalization via I-Mg Exchange of unprotected aromatic and heteroaromatic carboxylic acids8
• Functionalization via I-Mg Exchange of unprotected imidazoles9
• Pyridyne formation10
• Functionalization of cyclopentene derivatives11
• Preparation of 2,3-functionalized furans, benzofurans, and thiophenes12
• Stereoselective synthesis of substituted cyclopropanes13
Packaging
4×25, 100, 800 mL in Sure/Seal™
Legal Information
Product of Rockwood Lithium

REFERENCES

REFERENCES

From Suppliers Google Scholar IconGoogle Scholar PubMed iconPubMed Google Books IconGoogle Books
    No data available
  • Searching...Please wait...

PATENTS

PATENTS

PubChem iconPubChem Patent Google Patent Search IconGoogle Patent

INTERNET

INTERNET

Baidu iconBaidu google iconGoogle