CAS 878-23-9 2-Bromo-1-ethylpyridinium tetrafluoroborate (HCID 2736300)

Names & identifiers

Preferred name: 2-Bromo-1-ethylpyridinium tetrafluoroborate
IUPAC: 2-bromo-1-ethylpyridin-1-ium tetrafluoroborate
English name: 2-Bromo-1-ethylpyridinium tetrafluoroborate
Molecular formula: C7H9BBrF4N
Molecular weight: 273.86

Names & synonyms

878-23-92-Bromo-1-ethylpyridinium tetrafluoroborateEINECS 212-900-2DTXSID60236646RefChem:85623DTXCID90159137212-900-22-bromo-1-ethylpyridin-1-ium tetrafluoroboratebep tetrafluoroborateMFCD000600462-Bromo-1-ethyl-pyridinium tetrafluoroborate2-bromo-1-ethyl-pyridin-1-ium tetrafluoroborate

Show more names

BEPyBr2-Brom-1-ethylpyridiniumtetrafluoroborat2-BROMO-1-ETHYLPYRIDINIUM TETRAFLUOROBOR2-Bromo-1-ethylpyridinium tetrafluoroborat1-Ethyl-2-bromopyridinium·tetrafluoroborate2-Bromo-1-ethylpyridinium Tetra uoroborate

C7H9BBrF4N2-bromo-1-ethylpyridin-1-ium;tetrafluoroborateSCHEMBL120909AKOS015832928MS-20500bromoethylpyridiniumtetrafluoroborate2-bromo-1-ethyl-pyridin-1-iuSCHEMBL29387158

Database identifiers

CAS: 878-23-9
PubChem CID: 2736300
DTXSID: DTXSID60236646
EC Number: 212-900-2

Properties

Computed structural properties

Topological polar surface area: 3.9 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 5
Rotatable bonds: 1
Heavy atoms: 14
Formal charge: 0
Complexity: 104

Physicochemical properties

Melting point: 103 · 103-107 °C
storage temp.: 2 · under inert gas (nitrogen or Argon) at 2-8°C
form: Crystalline Powder
color: White
Water Solubility: very faint turbidity
BRN: 4059265 · 4059265
Major Application: peptide synthesis
InChI: InChI=1S/C7H9BrN.BF4/c1-2-9-6-4-3-5-7(9)8;2-1(3,4)5/h3-6H,2H2,1H3;/q+1;-1
InChIKey: YJDXVQLBIAJTHP-UHFFFAOYSA-N
SMILES: [N+]1(CC)C=CC=CC=1Br.[B-](F)(F)(F)F
CAS DataBase Reference: 878 · 878-23-9(CAS DataBase Reference)
UNSPSC Code: 12352005 · 12352005
NACRES: 22 · NA.22
Symbol(GHS): 5 · GHS05,GHS07
Signal word: Danger
Hazard statements: 302 · H302-H314
Precautionary statements: 260 · P260-P264-P270-P280-P301+P330+P331+P310-P303+P361+P353+P310+P363-P304+P340+P310-P305+P351+P338+P310-P405-P501
PPE: 95 · Eyeshields, Gloves, type N95 (US)
Hazard Codes: Xi
Risk Statements: 20 · 20/21/22-36/37/38
Safety Statements: 22 · 22-24/25-36/37/39-26
RIDADR: 1759 · 1759
WGK Germany: 3 · 3
F: 9 · 9-21
Hazard Note: Irritant
HazardClass: 8 · 8
PackingGroup: III
HS Code: 29333990 · 29333990
Storage Class: 11 · 11 - Combustible Solids

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

H301 (50%): 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+P354+P338, P316, P317, P321, P330, P361+P364, P363, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazard Classes and CategoriesAcute Tox. 3 (50%)

Safety data

F: 9-21
PPE: Eyeshields, Gloves, type N95 (US)
wgk: 3
ridadr: 1759
hs_code: 29333990
risk_code: 20/21/22-36/37/38
Signal word: Danger
Symbol(GHS): GHS05,GHS07
hazard_code: Xi
hazard_note: Irritant
safety_code: 22-24/25-36/37/39-26
hazard_class: 8
Storage Class: 11 - Combustible Solids
packing_group: III
Hazard statements: H302-H314
Precautionary statements: P260-P264-P270-P280-P301+P330+P331+P310-P303+P361+P353+P310+P363-P304+P340+P310-P305+P351+P338+P310-P405-P501

Chemistry & industry

Applications · 3 items

Uses2-Bromo-1-ethylpyridinium Tetrafluoroborate is a carboxyl activation and coupling reagent for peptide synthesis.

Uses2-Bromo-1-ethyl-pyridinium tetrafluoroborate can be used as a coupling reagent for:The synthesis of N-methylated peptides in solution and solid phase.The synthesis of cyclosporin A fragment and dolastatin 15 pentapeptide moiety.

General Description2-Bromo-1-ethyl-pyridinium tetrafluoroborate is a coupling reagent employed in the synthesis of amides and esters through amidation and esterification reactions, respectively. It is generally prepared by the reaction of triethyloxonium tetrafluoroborate with 2bromo pyridine.