DI-N-BUTYLMAGNESIUM
- Iupac Name：magnesium;butane
- CAS No.: 1191-47-5
- Molecular Weight：138.53400
- Modify Date.: 2022-10-27 06:34
1. Names and Identifiers
- 1.1 Name
- DI-N-BUTYLMAGNESIUM
- 1.2 Synonyms
Bis-n-butylmagnesium dibutyl magnesium solution DIBUTYL MAGNESIUM SOLUTION, ~1 M IN HEPT ANE dibutyl-magnesiu DIBUTYLMAGNESIUM Dibutylmagnesium solution DIBUTYLMAGNESIUM, 1.0M SOLUTION IN HEPTA NE EINECS 214-736-7 MAGNESIUM DIBUTYL Magnesium, dibutyl- MFCD00015225
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- 1.3 CAS No.
- 1191-47-5
- 1.4 CID
- 70929
- 1.5 EINECS(EC#)
- 254-671-1; 214-736-7
- 1.6 Molecular Formula
- C8H18Mg (isomer)
- 1.7 Inchi
- InChI=1S/2C4H9.Mg/c2*1-3-4-2;/h2*1,3-4H2,2H3;/q2*-1;+2
- 1.8 InChIkey
- KJJBSBKRXUVBMX-UHFFFAOYSA-N
- 1.9 Canonical Smiles
- CCC[CH2-].CCC[CH2-].[Mg+2]
- 1.10 Isomers Smiles
- CCC[CH2-].CCC[CH2-].[Mg+2]
2. Properties
- 2.1 Density
- 0.749 g/mL at 20 °C
- 2.1 Melting point
- -71ºC
- 2.1 Boiling point
- °Cat760mmHg
- 2.1 Flash Point
- °C
- 2.1 Precise Quality
- 138.12600
- 2.1 PSA
- 0.00000
- 2.1 logP
- 3.50820
- 2.1 StorageTemp
- 2-8°C
3. Safety and Handling
- 3.1 Hazard Codes
- F+; C; T; N
- 3.1 Risk Statements
- R12
- 3.1 Safety Statements
- S16; S26; S36/37/39; S43; S45; S7/8; S62; S61; S60
- 3.1 RIDADR
- UN 3399 4.3/PG 1
- 3.1 WGK Germany
- 1
- 3.1 Safety
- Hazard Codes F+,C,T,F,NRisk Statements 12-14/15-22-34-66-67-48/20/22-40-39/23/24/25-23/24/25-11-10-65-50/53Safety Statements 16-26-36/37/39-43-45-7/8-62-61-60RIDADR UN 3399 4.3/PG 1
WGK Germany 1
F 1-3-10
4. Synthesis Route
1191-47-5Total: 12 Synthesis Route
6. Computational chemical data
- Molecular Weight: 138.53400g/mol
- Molecular Formula: C8H18Mg
- Compound Is Canonicalized: True
- XLogP3-AA: null
- Exact Mass: 138.1258923
- Monoisotopic Mass: 138.1258923
- Complexity: 16.5
- Rotatable Bond Count: 2
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Topological Polar Surface Area: 0
- Heavy Atom Count: 9
- 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: 3
- CACTVS Substructure Key Fingerprint: AAADceBwAAAAACAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAGAAAAAAACACAAAACAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==
7. Recommended Suppliers
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- Products:We ZERchem, facing global High-tech pharmaceutical raw materials, high value-added new type intermediates fine chemicals custom synthesis, scale-up production and rare chemicals trade.
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- Email:sales@zeerrui.com
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- Tel:+86-25-57798086;+86-13951998329
- Purity:99%Packing: 200kg/bag FOB
- Price:
- Time: 2019/04/01
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8. Realated Product Infomation
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