2-Chloro-3-ethylbenzoxazolium tetrafluoroborate

C₉H₉BClF₄NOCAS 63212-53-3269.43 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₉H₉BClF₄NO
Molar mass: 269.43 g/mol
Exact mass: 269.0402 Da
logP: 4.49Crippen estimate
Polar surface area: 16.2 Å²
H-bond donors / acceptors: 0 / 0
Rotatable bonds: 1

Hazards

Danger

H301 Toxic if swallowed66.7% of notifiers
H302 Harmful if swallowed33.3% of notifiers
H311 Toxic in contact with skin66.7% of notifiers
H314 Causes severe skin burns and eye damage66.7% of notifiers
H315 Causes skin irritation33.3% of notifiers
H318 Causes serious eye damage33.3% of notifiers
H319 Causes serious eye irritation33.3% of notifiers
H335 May cause respiratory irritation66.7% of notifiers

Aggregated from 3 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+P351+P338, P305+P354+P338, P316, P317, P319, P321, P330, P332+P317, P337+P317, P361+P364, P362+P364, P363, P403+P233, P405, P501

Identifiers

CAS number

63212-53-3

SMILES

CCn1c(Cl)[o+]c2ccccc21.F[B-](F)(F)F

InChIKey

MLQZANYFUYLJRK-UHFFFAOYSA-N

InChI

InChI=1S/C9H9ClNO.BF4/c1-2-11-7-5-3-4-6-8(7)12-9(11)10;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

4 names

Benzoxazolium, 2-chloro-3-ethyl-, tetrafluoroborate(1-) (1:1)
Benzoxazolium, 2-chloro-3-ethyl-, tetrafluoroborate(1-)
Borate(1-), tetrafluoro-, 2-chloro-3-ethylbenzoxazolium
2-Chloro-3-ethyl-1,3-benzoxazol-3-ium; tetrafluoroboranuide

Work with 2-Chloro-3-ethylbenzoxazolium 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

9-Ethylcarbazole86-28-238 % similar 1-Ethyl-2-methyl-1H-indole40876-94-633 % similar 1-Ethyl-2-methyl-1H-benzimidazole5805-76-533 % similar 9-Ethyl-3-nitro-9H-carbazole86-20-432 % similar 1-Ethyl-2-phenyl-1H-indole13228-39-232 % similar 3-Amino-9-ethylcarbazole132-32-131 % similar 1-Ethyl-2,3-dimethylimidazolium tetrafluoroborate307492-75-731 % similar Benzyltriethylammonium tetrafluoroborate77794-93-530 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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