Bromocholine bromide
Basic information
- CAS
2758-06-7- Standard SMILES
C[N+](C)(C)CCBr.[Br-]- InChIKey
OINMNSFDYTYXEQ-UHFFFAOYSA-M- Molecular formula
- C5H13BrN.Br
- Average molar mass
- 246.97 g/mol
- Monoisotopic mass
- 244.94147
Names & identifiers
- Preferred name
- Bromocholine bromide
- IUPAC
- 2-bromoethyl(trimethyl)azanium bromide
- English name
- (2-Bromoethyl)trimethylammonium bromide
- Molecular formula
- C5H13Br2N
- Molecular weight
- 246.97
Names & synonyms
Bromocholine bromide(2-Bromoethyl)trimethylammonium bromide2-Bromoethyltrimethylammonium bromideEthanaminium, 2-bromo-N,N,N-trimethyl-, bromide (1:1)KH1I7RU18L2-bromoethyl(trimethyl)ammoniumNSC-32215Ethanaminium, 2-bromo-N,N,N-trimethyl-, bromide(BROMOETHYL)TRIMETHYLAMMONIUM BROMIDEDTXSID10883725RefChem:570332DTXCID801023221
Show more names
BETABBromocholine Bromide >BroMocholine broMide (BETAB)TriMethyl β-BroMoethylaMMoniuM BroMide(2-bromoethyl)trimethyl-ammoniubromide
2758-06-72-Bromo-N,N,N-trimethylethanaminium bromideBromcholinHypercylKathesinBTABBTAB(the plant regulator)BCB (the plant regulator)
Database identifiers
- CAS
2758-06-7- PubChem CID
- 17689
- DTXSID
DTXSID10883725- UNII
- KH1I7RU18L
- EC Number
- 220-419-4
Properties
Computed structural properties
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 2
- Heavy atoms
- 8
- Formal charge
- 0
- Complexity
- 46.5
Physicochemical properties
- Melting point
- 244 °C · 244 °C (dec.) (lit.)
- Density
- 1.6794 · 1.6794 (rough estimate)
- refractive index
- 1.58 · 1.5800 (estimate)
- storage temp.
- Inert atmosphere,Room Temperature
- solubility
- Methanol (Slightly), Water (Slightly)
- form
- Powder or Chunks
- color
- Light beige to light brown
- Water Solubility
- soluble
- Sensitive
- Hygroscopic
- InChI
- 1S/C5H13BrN.BrH/c1-7(2,3)5-4-6;/h4-5H2,1-3H3;1H/q+1;/p-1
- InChIKey
- OINMNSFDYTYXEQ-UHFFFAOYSA-M
- SMILES
- [Br-].C[N+](C)(C)CCBr
- CAS DataBase Reference
- 2758 · 2758-06-7(CAS DataBase Reference)
- FDA UNII
- 1 I7RU18L · KH1I7RU18L
- EPA Substance Registry System
- 2 · 2-Bromoethyltrimethylammonium bromide (2758-06-7)
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
H301 (77.6%): Toxic if swallowed [Danger Acute toxicity, oral]
P260, P261, P262, P264, P264+P265, P270, P271, P280, P301+P316, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P317, P319, P321, P330, P332+P317, P337+P317, P361+P364, P362+P364, P363, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 58 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory Information
Chemical: Ethanaminium, 2-bromo-N,N,N-trimethyl-, bromide
(2-Bromoethyl) trimethylammonium bromide: Does not have an individual approval but may be used under an appropriate group standard
Other Safety InformationEvaluation - Chemicals not considered for in depth evaluation - Not commercially active in Australia
Hazard Classes and CategoriesAcute Tox. 3 (77.6%)
Safety data
- PPE
- Eyeshields, Faceshields, Gloves, type P2 (EN 143) respirator cartridges, type P3 (EN 143) respirator cartridges
- wgk
- 3
- tsca
- TSCA listed
- rtecs
- BO9481000
- ridadr
- UN 2923 8/PG 2
- hs_code
- 29239000
- risk_code
- 23/24/25-34-36/37/38-25
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationEthanaminium, 2-bromo-N,N,N-trimethyl-, bromide (1:1): INACTIVE
Applications
Uses2-Bromo-N,N,N-trimethylethanaminium bromide is a quaternary ammonium salt consisting of a positively charged 2-bromo-N,N,N-trimethylethylamine cation and a negatively charged bromide anion. This compound is commonly used as a phase transfer catalyst in organic chemical reactions, facilitating the transfer of reactants between immiscible phases. It can also be used as a halogenating agent, for example in the bromination of olefins.
Upstream & downstream products
Upstream raw materials
Downstream products
Related reactions
0 records
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Compound notes
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