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BUTYLMAGNESIUM DIISOPROPYLAMIDE  1.0 M structure

BUTYLMAGNESIUM DIISOPROPYLAMIDE 1.0 M

 
1. Names and Identifiers
1.1 Name
BUTYLMAGNESIUM DIISOPROPYLAMIDE 1.0 M
1.2 Synonyms
BuMgN(i-Pr)2; Butylmagnesium diisopropylamide solution; ButylMagnesiuM diisopropylaMide solution, 1.0M;
1.3 CAS No.
138858-13-6
1.4 CID
3704513
1.5 Molecular Formula
C10H23MgN
1.6 Inchi
InChI=1S/C6H14N.C4H9.Mg/c1-5(2)7-6(3)4;1-3-4-2;/h5-6H,1-4H3;1,3-4H2,2H3;/q2*-1;+2
1.7 InChkey
CBVSLIOJPQZRAD-UHFFFAOYSA-N
1.8 Canonical Smiles
CCC[CH2-].CC(C)[N-]C(C)C.[Mg+2]
1.9 Isomers Smiles
CCC[CH2-].CC(C)[N-]C(C)C.[Mg+2]
2. MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Substances and mixtures, which in contact with water, emit flammable gases, Category 1

Skin corrosion, Category 1B

2.2 GHS label elements, including precautionary statements

Pictogram(s)
Signal word

Danger

Hazard statement(s)

H260 In contact with water releases flammable gases which may ignite spontaneously

H314 Causes severe skin burns and eye damage

Precautionary statement(s)
Prevention

P223 Do not allow contact with water.

P231+P232 Handle and store contents under inert gas/.... Protect from moisture.

P280 Wear protective gloves/protective clothing/eye protection/face protection.

P260 Do not breathe dust/fume/gas/mist/vapours/spray.

P264 Wash ... thoroughly after handling.

Response

P302+P335+P334 IF ON SKIN: Brush off loose particles from skin. Immerse in cool water [or wrap in wet bandages].

P370+P378 In case of fire: Use ... to extinguish.

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

P402+P404 Store in a dry place. Store in a closed container.

P405 Store locked up.

Disposal

P501 Dispose of contents/container to ...

2.3 Other hazards which do not result in classification

none

3. Synthesis Route
138858-13-6Total: 1 Synthesis Route
 
1191-47-5
1191-47-5 17 Suppliers
 
108-18-9
108-18-9 117 Suppliers
 
138858-13-6
138858-13-6 2 Suppliers
4. Precursor and Product
precursor:
product:
5. Computed Properties
  • Molecular Weight:181.606g/mol
  • Molecular Formula:C10H23MgN
  • Compound Is Canonicalized:True
  • XLogP3-AA:181.1680914
  • Monoisotopic Mass:181.1680914
  • Complexity:56.9
  • Rotatable Bond Count:3
  • Hydrogen Bond Donor Count:0
  • Hydrogen Bond Acceptor Count:2
  • Topological Polar Surface Area:1
  • Heavy Atom Count::12
  • 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:AAADceByAAAAACAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAHAAAAAAACCjBAAQCAAIAAAAAAAAAAAAAAAAAAAAAAAAIAAAAAAAAAAAAAAAAAACAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==
6. Toltal 2 Suppliers View more
Tel: Update Time:2019/11/25
Tel: Update Time:2022/01/01
7. Realated Product Infomation
 
 
 
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