3D Mol Similar

N-BUTYLMAGNESIUM BROMIDE

: Iupac Name：magnesium;butane;bromide; CAS No.: 693-03-8; Molecular Weight：161.32326; Modify Date.: 2022-11-29 07:54

Request For Quotation

1. Names and Identifiers

: 1.1 Name; N-BUTYLMAGNESIUM BROMIDE; 1.2 Synonyms; 1-Butylmagnesium bromide 1-Hexen-1-one bromobutylmagnesium Bromobutyl-Magnesium Butylbromomagnesium Butylmagnesium bromide EINECS 211-737-4 Magnesium, bromobutyl- n-buthylmagnesium bromide n-butylketene N-BUTYLMAGNESIUM BROMIDE n-butyl-magnesium bromide n-Butylmagnesium Bromide 1.0 M In Tetrahydrofuran n-Butylmagnesium bromide 1M solution in THF n-Butylmagnesium Bromide 3.0 M In Diethyl Ether n-Butylmagnesium bromide 3M solution in DEE n-butylmagnesium chloride; View all

1.3 CAS No.: 693-03-8

1.4 CID: 101836

1.5 EINECS(EC#): 211-737-4

1.6 Molecular Formula: C4H9BrMg (isomer)

1.7 Inchi: InChI=1S/C4H9.BrH.Mg/c1-3-4-2;;/h1,3-4H2,2H3;1H;/q-1;;+2/p-1

1.8 InChIkey: LWLPYZUDBNFNAH-UHFFFAOYSA-M

1.9 Canonical Smiles: CCC[CH2-].[Mg+2].[Br-]

1.10 Isomers Smiles: CCC[CH2-].[Mg+2].[Br-]

2. Properties

2.1 Melting point: 80.5-81 °C

2.1 Boiling point: 128-131 °C(Press: 0.2 Torr)

2.1 PSA: 0.00000

2.1 logP: 2.59970

3. Safety and Handling

3.1 Packing Group: I

3.1 Hazard Class: 4.3/3

3.1 Hazard Declaration: H314

3.1 RIDADR: 3399

3.1 Caution Statement: P260, P264, P280, P301+P330+P331, P303+P361+P353, P304+P340, P305+P351+P338, P310, P321, P363, P405, P501

4. MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Skin corrosion, Category 1B

Serious eye damage, Category 1

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

View all

5. Synthesis Route

693-03-8Total: 4 Synthesis Route

109-65-9 238 Suppliers

693-03-8 17 Suppliers

Literatures:
Holm, Torkil Journal of the Chemical Society, Perkin Transactions 2: Physical Organic Chemistry (1972-1999), 1981 , p. 464 - 467
Yield: null

109-65-9 238 Suppliers

60-29-7

106-98-9 47 Suppliers

693-03-8 17 Suppliers

Literatures:
Gilman; Fothergill Journal of the American Chemical Society, 1928 , vol. 50, p. 3338
Yield: null

109-65-9 238 Suppliers

60-29-7

106-98-9 47 Suppliers

693-03-8 17 Suppliers

106-97-8 65 Suppliers

Literatures:
Gilman; Fothergill Journal of the American Chemical Society, 1928 , vol. 50, p. 3338
Yield: null

View all

6. Precursor and Product

precursor:

74-87-3

109-65-9

7440-36-0

product :

814-29-9

1191-47-5

1129-65-3

5852-58-4

995-45-9

2155-73-9

994-79-6

122-56-5

71-41-0

629-35-6

6540-98-3

683-16-9

3431-67-2

1600-29-9

5340-38-5

5561-05-7

109-73-9

111-92-2

6460-27-1

3983-07-1

998-41-4

3084-50-2

1732-72-5

866-32-0

998-40-3

View all

7. Computational chemical data

Molecular Weight: 161.32326g/mol
Molecular Formula: C₄H₉BrMg
Compound Is Canonicalized: True
XLogP3-AA: null
Exact Mass: 159.97380
Monoisotopic Mass: 159.97380
Complexity: 11.5
Rotatable Bond Count: 1
Hydrogen Bond Donor Count: 0
Hydrogen Bond Acceptor Count: 2
Topological Polar Surface Area: 0
Heavy Atom Count: 6
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: AAADccBgAAAAECAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAGAAAAAAACACAAAACAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

8. Recommended Suppliers

Global13SuppliersView all >>

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Butylmagnesium bromide

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Price: 1 USD/kilogram
Time: 2024/11/14

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Bromobutyl-Magnesium