3D Mol Similar

SEC-BUTYLMAGNESIUM BROMIDE

: Iupac Name：magnesium;butane;bromide; CAS No.: 922-66-7; Molecular Weight：161.32326; Modify Date.: 2022-11-29 06:10; Introduction:
Liquid
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1. Names and Identifiers

: 1.1 Name; SEC-BUTYLMAGNESIUM BROMIDE; 1.2 Synonyms; 1-Methylpropylmagnesium bromide 2-Butylmagnesium bromide Bromo(1-methylpropyl)magnesium Bromo-sec-butylmagnesium Magnesium, bromo(1-methylpropyl)- Magnesium, bromo-sec-butyl- Magnesium,bromo-sec-butyl- (7CI,8CI) sec-Butylmagnesium bromide (6CI)

1.3 CAS No.: 922-66-7

1.4 CID: 102505

1.5 EINECS(EC#): 213-081-4

1.6 Molecular Formula: C4H9BrMg (isomer)

1.7 Inchi: InChI=1S/C4H9.BrH.Mg/c1-3-4-2;;/h3H,4H2,1-2H3;1H;/q-1;;+2/p-1

1.8 InChIkey: WSHFRLGXCNEKRX-UHFFFAOYSA-M

1.9 Canonical Smiles: CC[CH-]C.[Mg+2].[Br-]

1.10 Isomers Smiles: CC[CH-]C.[Mg+2].[Br-]

2. Properties

2.1 Melting point: 64.5-65 oC

2.1 Boiling point: °Cat760mmHg

2.1 Flash Point: °C

2.1 PSA: 0.00000

2.1 logP: 2.59970

2.1 Chemical Properties: Liquid SEC-BUTYLMAGNESIUM BROMIDESupplier

3. Safety and Handling

3.1 Risk Statements: 11-14/15-19-34

3.1 Safety Statements: 16-26-33-43-45-36/37/39

3.1 Packing Group: II

3.1 Hazard Class: 4.3/3

3.1 Hazard Declaration: H260

3.1 RIDADR: 3399

3.1 Caution Statement: P223, P231+P232, P260, P264, P280, P301+P330+P331, P303+P361+P353, P304+P340, P305+P351+P338, P310, P321, P335+P334, P363, P370+P378, P402+P404, P405, P501

4. 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

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5. 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==

6. Recommended Suppliers

Global17SuppliersView all >>

Hebei Yanxi Chemical Co.,Ltd Diamond member

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Purity:99%Packing: 200kg/bag FOB
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Dayang Chem (Hangzhou) Co., Ltd. Diamond member

13YRS

Products:Chemical products
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Purity:99%Packing: 200kg/bag FOB
Price: 2 USD/kilogram
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sec-Butylmagnesium?bromide