Basic information
- CAS
69227-51-6- Standard SMILES
CC[N+]1(C)CCCC1.[Br-]- InChIKey
KHJQQUGSPDBDRM-UHFFFAOYSA-M- Molecular formula
- C7H16N.Br
- Average molar mass
- 194.11 g/mol
- Monoisotopic mass
- 193.04661
Names & identifiers
- Preferred name
- 1-Ethyl-1-methylpyrrolidinium bromide
- IUPAC
- 1-ethyl-1-methylpyrrolidin-1-ium bromide
- English name
- 1-ETHYL-1-METHYLPYRROLIDINIUM BROMIDE
- Molecular formula
- C7H16BrN
- Molecular weight
- 194.11
Names & synonyms
69227-51-61-ETHYL-1-METHYLPYRROLIDINIUM BROMIDEPyrrolidinium, 1-ethyl-1-methyl-, bromideDTXSID20493471-Methyl-1-ethylpyrrolidinium bromideDTXCID9029306EC 418-200-5Pyrrolidinium, 1-ethyl-1-methyl-, bromide (1:1)RefChem:432303418-200-5623-336-51-ethyl-1-methylpyrrolidin-1-ium bromide
Show more names
N-ETHYL-N-METHYLPYRROLIDINIUM BROMIDESKL618[C2MPr]Br[EMPyrr]Br1-Ethyl-1-methylN-Ethyl,methylpyrrolidiniumMethylEthylPyrollidiumBromide1-ethyl-1-methylbromopyrolidineN-ethyl,methylpyrrolidinium bromide1-ETHYL-METHYL-PYRROLIDINIUM BROMIDE
1-Ethyl-1-methylpyrrolidiniumbromideMFCD030953841-ethyl-1-methylpyrrolidin-1-ium;bromide1-Ethyl-1-methyl-1-pyrrolidinium BromideTox21_202705N-ethyl N-methyl pyrrolidinium bromideAS-18503SY047227
Database identifiers
- CAS
69227-51-6- PubChem CID
- 112264
- DTXSID
DTXSID2049347- ChEMBL
CHEMBL3185835- EC Number
- 418-200-5、623-336-5
Properties
Computed structural properties
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 1
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 72.5
Physicochemical properties
- Melting point
- 106 °C · 106 °C
- storage temp.
- Sealed in dry,Room Temperature
- form
- Solid
- color
- White to Orange to Green
- Water Solubility
- Soluble in water.
- InChI
- InChI=1S/C7H16N.BrH/c1-3-8(2)6-4-5-7-8;/h3-7H2,1-2H3;1H/q+1;/p-1
- InChIKey
- KHJQQUGSPDBDRM-UHFFFAOYSA-M
- SMILES
- [N+]1(C)(CC)CCCC1.[Br-]
- LogP
- -3.34 at · -3.34 at 25℃
- CAS DataBase Reference
- 69227 · 69227-51-6
- EWG's Food Scores
- 1 · 1
- EPA Substance Registry System
- 1 · Pyrrolidinium, 1-ethyl-1-methyl-, bromide (69227-51-6)
- UNSPSC Code
- 12352100 · 12352100
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 8 · GHS08
- Signal word
- Warning
- Hazard statements
- 341 · H341
- Precautionary statements
- 281 · P281
- PPE
- 95 · dust mask type N95 (US), Eyeshields, Gloves
- Hazard Codes
- Xn
- Risk Statements
- 68 · 68
- Safety Statements
- 36 · 36/37
- WGK Germany
- 3 · 3
- TSCA
- TSCA listed
- HS Code
- 29339900 · 29339900
- Storage Class
- 11 · 11 - Combustible Solids
- Hazard Classifications
- 2 · Muta. 2
- REACH Registrations
- Active
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
Warning
H341: Suspected of causing genetic defects [Warning Germ cell mutagenicity]
P203, P280, P318, P405, and P501 (click each P-code to see the statement)
Warning
H341 (100%): Suspected of causing genetic defects [Warning Germ cell mutagenicity]
P203, P280, P318, P405, and P501 (click each P-code to see the statement)
Hazard information
Regulatory Information
Chemical: Pyrrolidinium, 1-ethyl-1-methyl-, bromide
REACH registered substance: 1-ethyl-1-methylpyrrolidinium bromide (EC: 418-200-5)
Other Safety InformationIMAP assessments - Bromine complexing agents: Human health tier II assessment
Hazard Classes and Categories
Muta. 2 (100%)
Muta. 2 (100%)
Germ cell mutagenicity - category 2
Muta. 2
Safety data
- PPE
- dust mask type N95 (US), Eyeshields, Gloves
- wgk
- 3
- tsca
- TSCA listed
- hs_code
- 29339900
- risk_code
- 68
- Signal word
- Warning
- Symbol(GHS)
- GHS08
- hazard_code
- Xn
- safety_code
- 36/37
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H341
- REACH Registrations
- Active
- Hazard Classifications
- Muta. 2
- Precautionary statements
- P281
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationPyrrolidinium, 1-ethyl-1-methyl-, bromide (1:1): ACTIVE
Applications
Uses1-Ethyl-1-methylpyrrolidinium bromide s an important raw material and intermediate used in organic synthesis, pharmaceuticals, agrochemicals and dyestuff.
Uses1-Ethyl-1-methylpyrrolidinium bromide may be used in the preparation of 1-ethyl-1-methylpyrrolidinium lactate, a potential solvent for the separation of hexan-1-ene from hexane. It can also be used to prepare 1-ethyl-1-methylpyrrolidinium tribromide. It can be used as a co-catalyst during the cycloaddition of CO2 with different epoxides to form cyclic carbonates in the presence of a nona-vacant Keggin-type tricarbonyl rhenium derivative catalyst.
General Description1-Ethyl-1-methylpyrrolidinium bromide is an ionic liquid that can be prepared by reacting N-methylpyrrolidine with bromoethane. it is conventionally used as a bromine-sequestering agent (BSA) in zinc/bromine redox flow batteries.
Suppliers100 total
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Related reactions
1 records
Compound notes
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