Basic information
- CAS
5713-61-1- Standard SMILES
[Br-].[Mg+2].[c-]1cccs1- InChIKey
HTJPDOPKPWUNBX-UHFFFAOYSA-M- Molecular formula
- C4H3BrMgS
- Average molar mass
- 187.34 g/mol
- Monoisotopic mass
- 185.89893
Names & identifiers
- Preferred name
- 2-Thienylmagnesium bromide
- IUPAC
- magnesium;2H-thiophen-2-ide;bromide
- English name
- 2-Thienylmagnesium bromide solution
- Molecular formula
- C4H3BrMgS
- Molecular weight
- 187.34
Names & synonyms
2-thienylmagnesium bromideRefChem:483740692-749-05713-61-12-thienyl magnesium bromideBromo-2-thienylmagnesiumthiophen-2-ylmagnesium bromidemagnesium;2H-thiophen-2-ide;bromideMFCD03094046magnesium,2H-thiophen-2-ide,bromideThienylmagnesiumbromidethienylmagnesium bromide
Show more names
THIOPHEN-2-YL-MAGNESIUM BROMIDE 1.0M2-Thienylmagnesium bromide solution2-Thienyl magnesium bromide 1.0M in THFthiophen-2-yl-magnesium bromide solutionmagnesium bromide thiophen-2-ide (1:1:1)2-Thienylmagnesium bromide, 1M solution in THF2-Thienylmagnesium bromide solution 1.0 M in THF
thienyl magnesium bromide2-Thienylmagnesium bromide, 1.0 M in THFSCHEMBL72771bromo(thiophen-2-yl)magnesiumthiphen-2-yl magnesium bromidethiophen-2-yl magnesium bromidethiophen-2-yl-magnesium bromidethiophene-2-yl magnesium bromide
Database identifiers
- CAS
5713-61-1- PubChem CID
- 11074151
- EC Number
- 692-749-0
Properties
Computed structural properties
- Topological polar surface area
- 25.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 7
- Formal charge
- 0
- Complexity
- 79.8
Physicochemical properties
- Boiling point
- 65 °C · 65 °C
- Density
- 1.011 g/mL · 1.011 g/mL at 25 °C
- Flash point
- 6 °F · −6 °F
- form
- Solution
- color
- Yellow to orange to brown
- InChI
- 1S/C4H3S.BrH.Mg/c1-2-4-5-3-1;;/h1-3H;1H;/q;;+1/p-1
- InChIKey
- GSHPYJFNTAMRJF-UHFFFAOYSA-M
- SMILES
- Br[Mg]c1cccs1
- UNSPSC Code
- 12352103 · 12352103
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 2 · GHS02,GHS07,GHS08
- Signal word
- Danger
- Hazard statements
- 225 · H225-H302-H319-H335-H351
- Precautionary statements
- 210 · P210-P280-P301+P312+P330-P305+P351+P338-P370+P378-P403+P235
- target organs
- Respiratory system
- Hazard Codes
- F,C,Xn
- Risk Statements
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
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P260, P261, P264, P264+P265, P270, P271, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P330, P362+P364, P363, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- wgk
- 1
- ridadr
- UN 2924 3/PG 2
- hs_code
- 29349990
- risk_code
- 11-14-19-22-34-40-36/37
- Signal word
- Danger
- Symbol(GHS)
- GHS02,GHS07,GHS08
- hazard_code
- F,C,Xn
- safety_code
- 16-26-36/37/39-45-36/37
- Storage Class
- 3 - Flammable liquids
- target organs
- Respiratory system
- Hazard statements
- H225-H302-H319-H335-H351
- Hazard Classifications
- Acute Tox. 4 OralCarc. 2Eye Irrit. 2Flam. Liq. 2STOT SE 3
- Precautionary statements
- P210-P280-P301+P312+P330-P305+P351+P338-P370+P378-P403+P235
Chemistry & industry
Applications
Uses2-Thienylmagnesium bromide is a Grignard reagent that can be used as a reactant to synthesize: 1-(2-thienyl)-carbinols by condensation reaction with aldehydes. Carbinols are further dehydrated to form 2-thienyl olefins. Thiophene-functionalized polystyrene macromonomer (ThPStM), which is employed as a key intermediate to synthesize polystyrene-graft-polythiophene (PSt-g-PTh) via a combination of atom transfer radical polymerization (ATRP) and Grignard reaction. Thienylene oligomers, which are used as conducting polymers and as potential OLEDs.
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers35 total
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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