Isoamylmagnesium Bromide - CAS 4548-78-1
Catalog: |
BB060728 |
Product Name: |
Isoamylmagnesium Bromide |
CAS: |
4548-78-1 |
Synonyms: |
Bromo(3-methylbutyl)magnesium;(3-Methylbutyl)magnesium Bromide;2-Pentylmagnesium Bromide;Bromoisopentylmagnesium |
IUPAC Name: | magnesium2-methylbutanebromide |
Description: | Isoamylmagnesium Bromide is a reagent in the synthesis of Perilla Ketone (P287050), an oil from Perilla frutescens which is very toxic as it is a potent pulmonary edemagenic agent for laboratory animals and livestock. This compound is commonly used in oriental foods. |
Molecular Weight: | 175.35 |
Molecular Formula: | C5H11BrMg |
Canonical SMILES: | CC(C)C[CH2-].[Mg+2].[Br-] |
InChI: | InChI=1S/C5H11.BrH.Mg/c1-4-5(2)3/h5H,1,4H2,2-3H31H/q-1+2/p-1 |
InChI Key: | WJGVYRMMIIWBAU-UHFFFAOYSA-M |
References: | Wilson, B.J., et al. Science, 197, 573 (1997). |
GHS Hazard Statement: | H261 (100%): In contact with water releases flammable gas [Danger Substances and mixtures which in contact with water, emit flammable gases] |
Precautionary Statement: | P231+P232, P260, P264, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P363, P370+P378, P402+P404, P405, and P501 |
Signal Word: | Danger |
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Complexity: | 22 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 3 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 173.98945 |
Formal Charge: | 0 |
Heavy Atom Count: | 7 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 173.98945 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 0Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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