sec-Butylmagnesium Chloride - Lithium Chloride
- Iupac Name：lithium;magnesium;butane;dichloride
- CAS No.: 1032768-06-1
- Molecular Weight：159.261
- Modify Date.: 2022-11-11 09:01
1. Names and Identifiers
- 1.1 Name
- sec-Butylmagnesium Chloride - Lithium Chloride
- 1.2 Synonyms
2-Butylmagnesium Chloride - Lithium Chloride CAS.No: 1032768-06-1 Fandachem Lithium chloride - sec-butyl(chloro)magnesium (1:1:1) sec-Butylmagnesium Chloride - Lithium Chloride
- 1.3 CAS No.
- 1032768-06-1
- 1.4 CID
- 71310571
- 1.5 Molecular Formula
- C4H9Cl2LiMg (isomer)
- 1.6 Inchi
- InChI=1S/C4H9.2ClH.Li.Mg/c1-3-4-2;;;;/h3H,4H2,1-2H3;2*1H;;/q-1;;;+1;+2/p-2
- 1.7 InChIkey
- YMUBDNJWWYNAOA-UHFFFAOYSA-L
- 1.8 Canonical Smiles
- [Li+].CC[CH-]C.[Mg+2].[Cl-].[Cl-]
- 1.9 Isomers Smiles
- [Li+].CC[CH-]C.[Mg+2].[Cl-].[Cl-]
2. Properties
- 2.1 Boiling point
- 66 °C/1.0 mmHg
- 2.1 Flash Point
- -21°C(lit.)
3. Safety and Handling
- 3.1 Packing Group
- I
- 3.1 Hazard Class
- 4.3/3
- 3.1 RIDADR
- UN 3399 4.3/3/PG I
4. MSDS
2.Hazard identification
2.1 Classification of the substance or mixture
no data available
2.2 GHS label elements, including precautionary statements
| Pictogram(s) | no data available |
| Signal word | no data available |
| Hazard statement(s) | no data available |
| Precautionary statement(s) | |
| Prevention | no data available |
| Response | no data available |
| Storage | no data available |
| Disposal | no data available |
2.3 Other hazards which do not result in classification
no data available
5. Computational chemical data
- Molecular Weight: 159.261g/mol
- Molecular Formula: C4H9Cl2LiMg
- Compound Is Canonicalized: True
- XLogP3-AA: null
- Exact Mass: 158.0091758
- Monoisotopic Mass: 158.0091758
- Complexity: 13.5
- Rotatable Bond Count: 1
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Topological Polar Surface Area: 0
- Heavy Atom Count: 8
- 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: AAADcchgAAAGACAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAGAAAAAAACACAAAACAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==
6. Recommended Suppliers
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