Basic information
- Standard SMILES
C=C[CH2-].[Cl-].[Mg+2]- InChIKey
PLYLAFITHJUEGX-UHFFFAOYSA-M- Molecular formula
- C3H5ClMg
- Average molar mass
- 100.83 g/mol
Names & identifiers
- Preferred name
- Allylmagnesium chloride
- IUPAC
- magnesium;prop-1-ene;chloride
- English name
- Allylmagnesium chloride
- Molecular formula
- C3H5ClMg
- Molecular weight
- 100.83
Names & synonyms
Show more names
Database identifiers
- CAS
2622-05-1- PubChem CID
- 75804
- DTXSID
DTXSID4062561- EC Number
- 220-067-1
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
- Melting point
- -21 °C · -21°C
- Boiling point
- 66 °C · 66°C
- Density
- 0.995 g/mL · 0.995 g/mL at 25 °C
- Flash point
- 1 °F · 1 °F
- storage temp.
- water-free area
- form
- Liquid
- color
- Clear tan to brown, amber, dark gray, dark green or black
- Water Solubility
- vigorous reaction
- Sensitive
- Air & Moisture Sensitive
- BRN
- 3587316 · 3587316
- InChI
- InChI=1S/C3H5.ClH.Mg/c1-3-2;;/h3H,1-2H2;1H;/q;;+1/p-1
- InChIKey
- PLYLAFITHJUEGX-UHFFFAOYSA-M
- SMILES
- C([Mg]Cl)C=C
- EPA Substance Registry System
- -2 · Magnesium, chloro-2-propenyl- (2622-05-1)
- UNSPSC Code
- 12352103 · 12352103
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 2 · GHS02,GHS05,GHS07,GHS08
- Signal word
- Danger
- Hazard statements
- 302 · H302-H371-H372-H225-H250-H260-H314-H335-H351-H261-H303-H318-H333
- Precautionary statements
- 223 · P223-P233-P240-P241+P242+P243-P260-P264-P270-P271-P301+P330+P331+P310-P303+P361+P353+P310+P363-P304+P340+P310-P305+P351+P338+P310-P308+P311-P335+P334-P402+P404-P303+P361+P353-P405-P501a-P210-P231+P232-P280-P305+P351+P338-P370+P378-P422
- target organs
- Central nervous system, Respiratory system
- PPE
- Faceshields, Gloves, Goggles, type ABEK (EN14387) respirator filter
- Hazard Codes
- F,C
- Risk Statements
- 11 · 11-14/15-34-40-37-19
- Safety Statements
- 16 · 16-26-36/37/39-43-45-7/8-6A-43B-33
- RIDADR
- 3399 · UN 3399 4.3/PG 1
- WGK Germany
- 1 · 1
- F
- 1 · 1-3-10
- TSCA
- TSCA listed
- HazardClass
- 4.2 · 4.2
- PackingGroup
- I
- HS Code
- 29319090 · 29319090
- Storage Class
- 4.3 · 4.3 - Hazardous materials which set free flammable gases upon contact with water
- Hazard Classifications
- 2 Eye · Carc. 2Eye Dam. 1Flam. Liq. 2Skin Corr. 1BSTOT SE 3Water-react 1
- REACH Registrations
- Active
- Excepted Quantities
- Not Permitted as Excepted Quantity
Safety & regulation
GHS classification
GHS Classification
Danger
H225 (40.5%): 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 84 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory Information
PMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.
REACH registered substance: Allylmagnesium chloride (EC: 220-067-1)
Magnesium, chloro-2-propenyl-: Does not have an individual approval but may be used under an appropriate group standard
Hazards Summary
2 Molar solution in tetrahydrofuran (CAS# 109-99-9): Reacts violently with water; Causes burns; Inhalation may cause corrosive injuries to upper respiratory tract and lungs; [Sigma-Aldrich MSDS] See Vinylmagnesium chloride and Methylmagnesium chloride.
Toxicology
Safety data
- F
- 1-3-10
- PPE
- Faceshields, Gloves, Goggles, type ABEK (EN14387) respirator filter
- wgk
- 1
- tsca
- TSCA listed
- 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
- 16-26-36/37/39-43-45-7/8-6A-43B-33
- hazard_class
- 4.2
- Storage Class
- 4.3 - Hazardous materials which set free flammable gases upon contact with water
- packing_group
- I
- target organs
- Central nervous system, Respiratory system
- Hazard statements
- H302-H371-H372-H225-H250-H260-H314-H335-H351-H261-H303-H318-H333
- Excepted Quantities
- Not Permitted as Excepted Quantity
- REACH Registrations
- Active
- Hazard Classifications
- Carc. 2Eye Dam. 1Flam. Liq. 2Skin Corr. 1BSTOT SE 3Water-react 1
- Precautionary statements
- P223-P233-P240-P241+P242+P243-P260-P264-P270-P271-P301+P330+P331+P310-P303+P361+P353+P310+P363-P304+P340+P310-P305+P351+P338+P310-P308+P311-P335+P334-P402+P404-P303+P361+P353-P405-P501a-P210-P231+P232-P280-P305+P351+P338-P370+P378-P422
Chemistry & industry
Uses & manufacturing
Applications
UsesAllylmagnesium chloride has been used in a study of the nucleophilic ring-opening of 2-methyleneaziridines to imines and subsequent conversion to 5,5-disubstituted hydantoins. It is also used as a reagent for the introduction of the allyl group.
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers50 total
Related reactions
No reaction records under the current filter.
Linked notes
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