Basic information
- Standard SMILES
C[CH-]C.[Cl-].[Mg+2]- InChIKey
GPIBKUJXKCEZOH-UHFFFAOYSA-M- Molecular formula
- C3.H7.Cl.Mg
- Average molar mass
- 102.84 g/mol
Names & identifiers
- Preferred name
- Chloroisopropylmagnesium
- IUPAC
- magnesium;propane;chloride
- English name
- Isopropylmagnesium chloride
- Molecular formula
- C3H7ClMg
- Molecular weight
- 102.85
Names & synonyms
Isopropylmagnesium Chloride1068-55-9Magnesium, chloro(1-methylethyl)-Chloro(1-methylethyl)magnesiumChloroisopropylmagnesium2-Propylmagnesium chlorideMN8G5FEJ5JChloro(propan-2-yl)magnesiumMAGNESIUM, CHLOROISOPROPYL-EINECS 213-947-1DTXSID6061444EC 213-947-1
Show more names
Isopropylmagnesium Chloride (11% in Tetrahydrofuran, ca. 1mol/L)IsopropylchloromagnesiumSOPROPYLMAGNESIUM CHLORIDEChloro(isopropyl) magnesiumLsopropylmagnesium ChlorideIsopropylmagnesium chloride, 1M in MeTHF
RefChem:575861Magnesium, chloro(1methylethyl)DTXCID7033028213-947-1i-PrMgCli-propylmagnesium chlorideisopropyl magnesium chlorideisopropylmagnesium chlorid
Database identifiers
- CAS
1068-55-9- PubChem CID
- 101955
- DTXSID
DTXSID6061444- UNII
- MN8G5FEJ5J
- EC Number
- 213-947-1、936-069-7
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
- 6.9
Experimental & physicochemical properties
Chemical ClassesMetals -> Metals, Organic Compounds
Density0.834 @25 °C
Physical Description1 Molar solution in tetrahydrofuran: Liquid; [Alfa Aesar MSDS]
Physicochemical properties
- Melting point
- 155 · 155-157 °C
- Boiling point
- 256 °C · 256 °C
- Density
- 0.98 g/mL · 0.98 g/mL at 20 °C
- Flash point
- 72 °F · 72 °F
- storage temp.
- Flammables + water-Freezer (-20°C)e area
- form
- Solution
- color
- Yellow-brown to dark brown
- Water Solubility
- It reacts violently with water.
- Sensitive
- Air & Moisture Sensitive
- BRN
- 4124221 · 4124221
- InChI
- InChI=1S/C3H7.ClH.Mg/c1-3-2;;/h3H,1-2H3;1H;/q;;+1/p-1
- InChIKey
- GPIBKUJXKCEZOH-UHFFFAOYSA-M
- SMILES
- C(C)(C)[Mg]Cl
- CAS DataBase Reference
- 1068 · 1068-55-9(CAS DataBase Reference)
- FDA UNII
- 8 G5FEJ5J · MN8G5FEJ5J
- EPA Substance Registry System
- Magnesium, chloro(1-methylethyl)- (1068-55-9)
- UNSPSC Code
- 12352103 · 12352103
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 2 · GHS02,GHS05,GHS07,GHS08
- Signal word
- Danger
- Hazard statements
- 303 · H303-H318-H333-H225-H261-H314-H335-H351-H260-H302-H336
- Precautionary statements
- 223 · P223-P303+P361+P353-P305+P351+P338-P405-P501a-P210-P231+P232-P280-P370+P378-P402+P404-P403+P235
- target organs
- Central nervous system, Respiratory system
- Hazard Codes
- C,F+,F
- Risk Statements
- 12 · 12-14/15-19-22-34-66-67-14-10-11-37
- Safety Statements
- 26 · 26-36/37/39-43-45-16-33-9
- RIDADR
- 3399 · UN 3399 4.3/PG 2
- WGK Germany
- 1 · 1
- F
- 1 · 1-3-10
- TSCA
- TSCA listed
- HazardClass
- 4.3 · 4.3
- 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
Safety & regulation
GHS classification
GHS Classification
Danger
H225 (36.4%): Highly Flammable liquid and vapor [Danger Flammable liquids]
P210, P223, P231+P232, P233, P240, P241, P242, P243, P260, P264, P264+P265, P280, P301+P330+P331, P302+P335+P334, P302+P361+P354, P303+P361+P353, P304+P340, P305+P354+P338, P316, P317, P321, P363, P370+P378, P402+P404, P403+P235, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 121 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Danger
H225 (100%): Highly Flammable liquid and vapor [Danger Flammable liquids]
Hazard information
Regulatory Information
Magnesium, chloro(1-methylethyl)- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Magnesium, chloro(1-methylethyl)- are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)
REACH registered substance: Chloro(1-methylethyl)magnesium (EC: 213-947-1)
Magnesium, chloro(1-methylethyl)-: Does not have an individual approval but may be used under an appropriate group standard
Hazards Summary
1 molar solution in tetrahydrofuran (CAS# 96-47-9): May form explosive peroxides; Reacts violently with water evolving extremely flammable gases; Causes burns; Inhalation may cause corrosive injuries to upper respiratory tract and lungs; [Alfa Aesar MSDS] See Methylmagnesium chloride.
Hazard Classes and Categories
Flam. Liq. 2 (36.4%)
Flam. Liq. 2 (100%)
Safety & protection
Protective Action Criteria (PAC)
1.2 [mg/m3]
13 [mg/m3]
79 [mg/m3]
Toxicology
Adverse EffectsDermatotoxin - Skin burns.
Safety data
- F
- 1-3-10
- wgk
- 1
- tsca
- TSCA listed
- ridadr
- UN 3399 4.3/PG 2
- hs_code
- 29319090
- risk_code
- 12-14/15-19-22-34-66-67-14-10-11-37
- Signal word
- Danger
- Symbol(GHS)
- GHS02,GHS05,GHS07,GHS08
- hazard_code
- C,F+,F
- safety_code
- 26-36/37/39-43-45-16-33-9
- hazard_class
- 4.3
- 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
- H303-H318-H333-H225-H261-H314-H335-H351-H260-H302-H336
- REACH Registrations
- Active
- Hazard Classifications
- Carc. 2Eye Dam. 1Flam. Liq. 2Skin Corr. 1BSTOT SE 3Water-react 1
- Precautionary statements
- P223-P303+P361+P353-P305+P351+P338-P405-P501a-P210-P231+P232-P280-P370+P378-P402+P404-P403+P235
Chemistry & industry
Uses & manufacturing
UsesUsed as an intermediate; [ExPub: ECHA REACH Registrations]
U.S. Production2022: 38,966 lb
Industry UsesIntermediate
General Manufacturing Information
All Other Basic Organic Chemical Manufacturing
Magnesium, chloro(1-methylethyl)-: ACTIVE
Applications
UsesIsopropylmagnesium Chloride is a grignard reagent that can be used in the transmetalation of grignard reagents to make versatile org. semiconductors.
Upstream & downstream products
Upstream raw materials
Downstream products
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