2-Bromo-1-ethylpyridinium tetrafluoroborate

C₇H₉BBrF₄NCAS 878-23-9273.86 g/mol

Open in Covalent MOL file

Aryl halide

Properties

Molecular formula: C₇H₉BBrF₄N
Molar mass: 273.86 g/mol
Exact mass: 272.9948 Da
Melting point: 102–104 °C
logP: 3.06Crippen estimate
Polar surface area: 3.9 Å²
H-bond donors / acceptors: 0 / 0
Rotatable bonds: 1

Hazards

Danger

H301 Toxic if swallowed50% of notifiers
H302 Harmful if swallowed50% of notifiers
H311 Toxic in contact with skin50% of notifiers
H314 Causes severe skin burns and eye damage50% of notifiers
H318 Causes serious eye damage50% of notifiers
H331 Toxic if inhaled50% of notifiers

Aggregated from 2 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

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, P501

Identifiers

CAS number

878-23-9

SMILES

CC[n+]1ccccc1Br.F[B-](F)(F)F

InChIKey

YJDXVQLBIAJTHP-UHFFFAOYSA-N

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

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

5 names

Pyridinium, 2-bromo-1-ethyl-, tetrafluoroborate(1-) (1:1)
Pyridinium, 2-bromo-1-ethyl-, tetrafluoroborate
Pyridinium, 2-bromo-1-ethyl-, tetrafluoroborate(1-)
Borate(1-), tetrafluoro-, 2-bromo-1-ethylpyridinium
BEP

Work with 2-Bromo-1-ethylpyridinium tetrafluoroborate

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

2-Ethyl-1,2-benzisoxazolium tetrafluoroborate4611-62-540 % similar 1,1'-Difluoro-2,2'-bipyridinium Bis(tetrafluoroborate)178439-26-438 % similar 1-Ethylquinolinium iodide634-35-538 % similar 1-Butylpyridinium tetrafluoroborate203389-28-035 % similar Benzyltriethylammonium tetrafluoroborate77794-93-534 % similar 2-Bromopyridine N-oxide hydrobromide206860-49-333 % similar 2-Bromopyridine N-oxide hydrochloride80866-91-733 % similar 1-Butyl-4-methylpyridinium tetrafluoroborate343952-33-033 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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