Basic information
- CAS
1730-25-2- Standard SMILES
C=C[CH2-].[Br-].[Mg+2]- InChIKey
FEMBXICCJNZMMC-UHFFFAOYSA-M- Molecular formula
- C3H5BrMg
- Average molar mass
- 145.28 g/mol
Names & identifiers
- Preferred name
- Allylmagnesium bromide
- IUPAC
- magnesium;prop-1-ene;bromide
- English name
- ALLYLMAGNESIUM BROMIDE
- Molecular formula
- C3H5BrMg
- Molecular weight
- 145.28
Names & synonyms
Show more names
Database identifiers
- CAS
1730-25-2- PubChem CID
- 74413
- DTXSID
DTXSID30938266- EC Number
- 217-046-4
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
- 14.4
Experimental & physicochemical properties
Physicochemical properties
- Density
- 0.851 g/mL · 0.851 g/mL at 25 °C
- Flash point
- 40 °F · −40 °F
- storage temp.
- Refrigerator
- form
- Solution
- color
- Yellow-green or gray
- Sensitive
- air sensitive, moisture sensitive
- BRN
- 969335 · 969335
- InChI
- InChI=1S/C3H5.BrH.Mg/c1-3-2;;/h3H,1-2H2;1H;/q;;+1/p-1
- InChIKey
- FEMBXICCJNZMMC-UHFFFAOYSA-M
- SMILES
- C([Mg]Br)C=C
- CAS DataBase Reference
- 1730 · 1730-25-2
- UNSPSC Code
- 12352103 · 12352103
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 2 · GHS02,GHS05,GHS07
- Signal word
- Danger
- Hazard statements
- 225 · H225-H250-H260-H302-H314-H336
- Precautionary statements
- 210 · P210-P222-P223-P231+P232-P370+P378-P422
- target organs
- Central nervous system
- PPE
- Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
- Hazard Codes
- F+,C,F
- Risk Statements
- 12 · 12-14/15-19-22-34-66-67-11
- Safety Statements
- 9 · 9-16-29-33-43-45-36/37/39-26
- RIDADR
- 3399 · UN 3399 4.3/PG 1
- WGK Germany
- 1 · 1
- F
- 1 · 1-3-10
- HazardClass
- 8 · 8
- PackingGroup
- III
- HS Code
- 29319090 · 29319090
- Storage Class
- 4.3 · 4.3 - Hazardous materials which set free flammable gases upon contact with water
- Hazard Classifications
- 4 OralEye · Acute Tox. 4 OralEye Dam. 1Flam. Liq. 1Skin Corr. 1BSTOT SE 3Water-react 1
Safety & regulation
GHS classification
GHS Classification
Danger
H225 (37.7%): Highly Flammable liquid and vapor [Danger Flammable liquids]
P210, P222, P223, P231, P231+P232, P233, P240, P241, P242, P243, P260, P264, P280, P301+P330+P331, P302+P335+P334, 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 69 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazards Summary
10-30% Solution in diethyl ether (CAS# 60-29-7): Reacts violently with water producing flammable gases that may ignite spontaneously; Causes burns; Inhalation may cause corrosive injuries to upper respiratory tract and lungs; [Sigma-Aldrich MSDS] See Methyl magnesium bromide.
Safety & protection
Protective Action Criteria (PAC)
1.2 [mg/m3]
13 [mg/m3]
79 [mg/m3]
Toxicology
Safety data
- F
- 1-3-10
- PPE
- Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
- wgk
- 1
- ridadr
- UN 3399 4.3/PG 1
- hs_code
- 29319090
- risk_code
- 12-14/15-19-22-34-66-67-11
- Signal word
- Danger
- Symbol(GHS)
- GHS02,GHS05,GHS07
- hazard_code
- F+,C,F
- safety_code
- 9-16-29-33-43-45-36/37/39-26
- hazard_class
- 8
- Storage Class
- 4.3 - Hazardous materials which set free flammable gases upon contact with water
- packing_group
- III
- target organs
- Central nervous system
- Hazard statements
- H225-H250-H260-H302-H314-H336
- Hazard Classifications
- Acute Tox. 4 OralEye Dam. 1Flam. Liq. 1Skin Corr. 1BSTOT SE 3Water-react 1
- Precautionary statements
- P210-P222-P223-P231+P232-P370+P378-P422
Chemistry & industry
Applications
UsesAllylmagnesium bromide solution can be used in the Grignard reaction, which is a key step to synthesize:2-(9,10-dihydro-9,10-propanoanthracen-9-yl)-N-methylethanamine (2), a homolog of benzoctamine tarchonanthuslactone(+)-preussinpolyhydroxylated quinolizidine alkaloids
Upstream & downstream products
Downstream products
Suppliers100 total
Related reactions
No reaction records under the current filter.
Compound notes
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