Basic information
- CAS
677-22-5- Standard SMILES
C[C-](C)C.[Cl-].[Mg+2]- InChIKey
CQRPUKWAZPZXTO-UHFFFAOYSA-M- Molecular formula
- C4H9ClMg
- Average molar mass
- 116.87 g/mol
- Monoisotopic mass
- 116.0243197
Overview
See also: tert-Butylmagnesium chloride (preferred).
Names & identifiers
- Preferred name
- tert-Butylmagnesium Chloride, 1.7M in Diethyl ether
- IUPAC
- magnesium;2-methylpropane;chloride
- English name
- tert-Butylmagnesium chloride
- Molecular formula
- C4H9ClMg
- Molecular weight
- 116.87
Names & synonyms
SCHEMBL474048DTXSID00987044AKOS032949747Magnesium chloride 2-methylpropan-2-ide (1/1/1)tert-Butylmagnesium Chloride, 1.7M in Diethyl etherT-BUTYLMAGNESIUM CHLORIDEtert-butylMagnesiuMtert-butylmagnesium chloride solutiontert-Butylmagnesium chloride [1.0 M solution in THF]solution~1MinTHFtert-Butylchloromagnesiumert-Butylmagnesiumchloride
Show more names
tert-Butylmagnesium chlorideMagnesium tert-butyl chloridetert-Butylmagnesium chloride, 2M
Database identifiers
- CAS
677-22-5- PubChem CID
- 101830
- DTXSID
DTXSID00987044
Properties
Computed structural properties
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 6
- Formal charge
- 0
- Complexity
- 4.8
Physicochemical properties
- Melting point
- -108 ℃ · -108℃ (Tetrahydrofuran)
- Density
- 0.931 g/mL · 0.931 g/mL at 25 °C
- Flash point
- -17 °C · -17 °C - closed cup
- storage temp.
- 2 · 2-8°C
- form
- Liquid
- color
- Clear brown to dark brown
- Water Solubility
- Miscible with alcohol and water.
- Sensitive
- Air & Moisture Sensitive
- BRN
- 3535403 · 3535403
- InChI
- InChI=1S/C4H9.ClH.Mg/c1-4(2)3;;/h1-3H3;1H;/q;;+1/p-1
- InChIKey
- ZDRJSYVHDMFHSC-UHFFFAOYSA-M
- SMILES
- C(C)(C)(C)[Mg]Cl
- CAS DataBase Reference
- 677 · 677-22-5(CAS DataBase Reference)
- UNSPSC Code
- 12352103 · 12352103
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 2 · GHS02,GHS05,GHS07,GHS08
- Signal word
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- F
- 1-3-10
- PPE
- Faceshields, Gloves, Goggles, type ABEK (EN14387) respirator filter
- wgk
- 1
- ridadr
- UN 3399 4.3/PG 1
- hs_code
- 29319090
- risk_code
- 12-14/15-19-22-34-66-67-15-11-14-37-17-40
- Signal word
- Danger
- Symbol(GHS)
- GHS02,GHS05,GHS07,GHS08
- hazard_code
- F+,C,F
- safety_code
- 9-16-26-29-33-36/37/39-43-45
- hazard_class
- 4.3
- Storage Class
- 4.2 - Pyrophoric and self-heating hazardous materials
- packing_group
- I
- target organs
- Respiratory system
- Hazard statements
- H333-H225-H250-H260-H302-H314-H336-H335-H351-H224-H361-H371-H372-H261-H318
- Excepted Quantities
- Not Permitted as Excepted Quantity
- REACH Registrations
- Active
- Hazard Classifications
- Acute Tox. 4 OralCarc. 2Eye Dam. 1Flam. Liq. 2Pyr. Liq. 1Skin Corr. 1BSTOT SE 3Water-react 1
- Precautionary statements
- P210-P231+P232-P280-P305+P351+P338-P370+P378-P422-P201-P202-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+P313-P335+P334-P308+P311-P402+P404-P303+P361+P353-P405-P501a
Chemistry & industry
Applications
Usestert-Butylmagnesium chloride is a Grignard reagent used in organic synthesis. It is also involved in copper-catalyzed cross-coupling reaction with primary-alkyl halides.
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers100 total
国药集团化学试剂有限公司86-21-63210123 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
郑州阿尔法化工有限公司+86-18530059196 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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