Magnesium, bromo-1-propynyl-
Basic information
- CAS
16466-97-0- Standard SMILES
[Br-].[C-]#CC.[Mg+2]- InChIKey
QBNOPZJAURRQCE-UHFFFAOYSA-M- Molecular formula
- C3H3BrMg
- Average molar mass
- 143.27 g/mol
- Monoisotopic mass
- 141.92685
Names & identifiers
- Preferred name
- Magnesium, bromo-1-propynyl-
- IUPAC
- magnesium;prop-1-yne;bromide
- English name
- 1-Propynylmagnesium bromide
- Molecular formula
- C3H3BrMg
- Molecular weight
- 143.26
Names & synonyms
16466-97-0RefChem:800645Magnesium, bromo-1-propynyl-605-372-31-Propynylmagnesium bromidebromo(prop-1-yn-1-yl)magnesiumMagnesium, bromo-1-propynyl- (8CI,9CI)propynylmagnesium bromide1-propynyl magnesium bromidepropynylmagnesiumbromidepropynyl magnesium bromideprop-1-ynylmagnesium bromide
Show more names
1-propynylmagnesium bromide solution1-PropynyL1-Propynylbromomagnesium(1-Propynyl)bromomagnesiumBromo(1-propynyl) magnesiumBromo(1-propyn-1-yl)magnesium1-Propyn-1-ylmagnesium bromideMagnesium,bromo-1-propynyl- (8CI,9CI)
SCHEMBL16967prop-1-inyl magnesium bromideprop-1-ynyl-magnesium bromide(propyn-1-yl)magnesium bromideprop-1-yn-1-ylmagnesium bromideYVJBCTFVENNIOV-UHFFFAOYSA-M1-propyne magnesium bromide solution1-Propynylmagnesium bromide 0.5m THF
Database identifiers
- CAS
16466-97-0- PubChem CID
- 3608069
- EC Number
- 605-372-3
Properties
Computed structural properties
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 5
- Formal charge
- 0
- Complexity
- 33.4
Physicochemical properties
- Melting point
- 53.5 °C · 53.5 °C(Solv: methanol (67-56-1))
- Boiling point
- 65 · 65-67 °C
- Density
- 0.941 g/mL · 0.941 g/mL at 25 °C
- Flash point
- -1 °C · -1 °C - closed cup
- storage temp.
- 2 · 2-8°C
- solubility
- THF
- form
- Pale Yellow Solution
- BRN
- 3929146 · 3929146
- Stability
- Moisture Sensitive, Pyrophoric
- InChI
- InChI=1S/C3H3.BrH.Mg/c1-3-2;;/h1H3;1H;/q;;+1/p-1
- InChIKey
- YVJBCTFVENNIOV-UHFFFAOYSA-M
- SMILES
- C([Mg]Br)#CC
- CAS DataBase Reference
- 16466 · 16466-97-0
- UNSPSC Code
- 12352103 · 12352103
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 2 · GHS02,GHS05,GHS07,GHS08
- Signal word
- Danger
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Danger
H225 (11.1%): Highly Flammable liquid and vapor [Danger Flammable liquids]
P210, P231+P232, P233, P240, P241, P242, P243, P260, P264, P280, P301+P330+P331, P302+P361+P354, P303+P361+P353, P304+P340, P305+P354+P338, P316, P321, P363, P370+P378, P402+P404, P403+P235, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 45 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesFlam. Liq. 2 (11.1%)
Safety data
- F
- 1-10
- PPE
- Faceshields, Gloves, Goggles, type ABEK (EN14387) respirator filter
- wgk
- 1
- ridadr
- UN 3399 4.3/PG 1
- hs_code
- 29319090
- risk_code
- 11-14/15-34-40-37-19
- Signal word
- Danger
- Symbol(GHS)
- GHS02,GHS05,GHS07,GHS08
- hazard_code
- F,C
- safety_code
- 16-26-36/37/39-43-45
- Storage Class
- 4.3 - Hazardous materials which set free flammable gases upon contact with water
- target organs
- Central nervous system, Respiratory system
- Hazard statements
- H225-H261-H302-H314-H335-H351
Chemistry & industry
Applications
UsesPreparation of hydroxy enynes which underwent gold(I)-catalyzed benzannulation leading to tetrahydronaphthalenes.1
Uses1-Propynylmagnesium Bromide Solution is a useful research reagent for chemical and organic transformations. It acts as a reagent in the synthesis of lasonolides a novel polyketides with biological activity in vitro against a variety of cancer cell lines.
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…