Isopropylmagnesium chloride lithium chloride complex
- Iupac Name：lithium;magnesium;propane;dichloride
- CAS No.: 745038-86-2
- Molecular Weight：144.23
- Modify Date.: 2023-11-06 17:24
- Introduction:
Isopropylmagnesium chloride lithium chloride complex, with the chemical formula C6H15Cl2LiMg and CAS registry number 745038-86-2, is a compound known for its applications in organic synthesis. This complex is formed by the reaction of isopropylmagnesium chloride (C3H7ClMg) with lithium chloride (LiCl). It is commonly used as a reagent in various reactions, such as Grignard reactions and nucleophilic additions. Isopropylmagnesium chloride lithium chloride complex is a colorless to yellowish liquid, and it is highly reactive. It is often used as a source of isopropylmagnesium chloride in the synthesis of organic compounds. This complex offers a versatile platform for the introduction of isopropyl groups into different molecules, making it a valuable tool in organic chemistry.
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1. Names and Identifiers
- 1.1 Name
- Isopropylmagnesium chloride lithium chloride complex
- 1.2 Synonyms
ISOPROPYLMAGNESIUM CHLORIDE - LITHIUM CHLORIDE COMPLEX Isopropylmagnesium chloride - Lithium chloride complex, 1.3M solution in THF, AcroSeal§3 Isopropylmagnesium chloride - Lithium chloride complex,1.3M solution in THF ISOPROPYLMAGNESIUM CHLORIDE-LITHIUM CHLORIDE Magnesate(1-),dichloro(1-methylethyl)-, lithium (9CI)
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- 1.3 CAS No.
- 745038-86-2
- 1.4 CID
- 11275082
- 1.5 Molecular Formula
- C3H6Cl2LiMg (isomer)
- 1.6 Inchi
- InChI=1S/C3H6.2ClH.Li.Mg/c1-3-2;;;;/h1-2H3;2*1H;;/q-1;;;+1;+2/p-2
- 1.7 InChIkey
- GFRAKTLEBRSDFT-UHFFFAOYSA-L
- 1.8 Canonical Smiles
- [Li+].C[C-](C)[Mg++]([Cl-])[Cl-]
- 1.9 Isomers Smiles
- [Li+].C[CH-]C.[Mg+2].[Cl-].[Cl-]
2. Properties
- 2.1 Density
- 1.05
- 2.1 Flash Point
- -17 °C
- 2.1 PSA
- 0.00000
- 2.1 logP
- -0.94250
- 2.1 Appearance
- Clear yellow to brown to gray Solution
- 2.2 Chemical Properties
- Clear brown solution Isopropylmagnesium chloride lithium chloride complexSupplier
- 2.3 Color/Form
- Clear yellow to brown to gray
- 2.4 StorageTemp
- Flammables area
3. Safety and Handling
- 3.1 Hazard Codes
- C-F,C,F
- 3.1 Risk Statements
- 34-19-14/15-11-40-37
- 3.1 Safety Statements
- 7/8-45-43B-36/37/39-33-16-43-26
- 3.1 Hazard Declaration
- H314
- 3.1 RIDADR
- UN 3399BC 4.3(3) / PGII
- 3.1 Caution Statement
- P260, P264, P280, P301+P330+P331, P303+P361+P353, P304+P340, P305+P351+P338, P310, P321, P363, P405, P501
- 3.1 WGK Germany
- 3
- 3.1 Safety
- Hazard Codes C-FRisk Statements 34-19-14/15-11Safety Statements 7/8-45-43B-36/37/39-33-16
- 3.2 Specification
-
Clear brown solution
Safety Statements:7/8-45-43B-36/37/39-33-16
7/8:Keep container tightly closed and dry
45:In case of accident or if you feel unwell, seek medical
advice immediately (show label where possible)
36/37/39:Wear suitable protective clothing, gloves and eye/face
protection
33:Take precautionary measures against static discharges
16:Keep away from sources of ignition - No smoking
4. MSDS
2.Hazard identification
2.1 Classification of the substance or mixture
Skin corrosion, Category 1B
2.2 GHS label elements, including precautionary statements
| Pictogram(s) |  |
| Signal word | Danger |
| Hazard statement(s) | H314 Causes severe skin burns and eye damage |
| Precautionary statement(s) | |
| Prevention | P260 Do not breathe dust/fume/gas/mist/vapours/spray. P264 Wash ... thoroughly after handling. P280 Wear protective gloves/protective clothing/eye protection/face protection. |
| Response | P301+P330+P331 IF SWALLOWED: Rinse mouth. Do NOT induce vomiting. P303+P361+P353 IF ON SKIN (or hair): Take off immediately all contaminated clothing. Rinse skin with water [or shower]. P363 Wash contaminated clothing before reuse. P304+P340 IF INHALED: Remove person to fresh air and keep comfortable for breathing. P310 Immediately call a POISON CENTER/doctor/… P321 Specific treatment (see ... on this label). P305+P351+P338 IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing. |
| Storage | P405 Store locked up. |
| Disposal | P501 Dispose of contents/container to ... |
2.3 Other hazards which do not result in classification
none
5. Other Information
- 5.0 Chemical Properties
- Clear brown solution
- 5.1 Uses
- Isopropylmagnesium chloride lithium chloride complex is a reagent for Selective Metalations. And it was used with CH3MgCl/LiCl to affect magnesium-halogen exchange on unprotected aryl carboxylic acids.
6. Computational chemical data
- Molecular Weight: 144.23g/mol
- Molecular Formula: C3H6Cl2LiMg
- Compound Is Canonicalized: True
- XLogP3-AA: null
- Exact Mass: 143.9935257
- Monoisotopic Mass: 143.9935257
- Complexity: 8.9
- Rotatable Bond Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Topological Polar Surface Area: 0
- Heavy Atom Count: 7
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count: 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Isotope Atom Count: 0
- Covalently-Bonded Unit Count: 5
- CACTVS Substructure Key Fingerprint: AAADcYhAAAAGACAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAGAAAAAAACACAAAACAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==
7. Question & Answer
-
Isopropylmagnesium chloride lithium chloride complex is a colorless or white crystalline solid, soluble in water and some organic solvents. Applications Isopropylmagnesium chloride lithium chloride c..
-
Isopropylmagnesium chloride lithium chloride complex is a transitional Grignard reagent that can be widely used in the preparation of Grignard reagents that cannot be obtained by conventional (RX+MgR..
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