Bis(1,5-cyclooctadiene)iridium(I) tetrafluoroborate

C₁₆H₂₄BF₄Ir⁻CAS 35138-23-9495.39 g/mol

Open in Covalent MOL file

Alkene

Properties

Molecular formula: C₁₆H₂₄BF₄Ir⁻
Molar mass: 495.39 g/mol
Exact mass: 496.1536 Da
logP: 6.64Crippen estimate
Polar surface area: 0.0 Å²
H-bond donors / acceptors: 0 / 0
Rotatable bonds: 0
Double bonds: Z, Z, Z, ZE/Z, in SMILES order

Hazards

Warning

H290 May be corrosive to metals50% of notifiers
H302 Harmful if swallowed50% of notifiers
H312 Harmful in contact with skin50% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H332 Harmful if inhaled50% of notifiers
H335 May cause respiratory irritation50% of notifiers
H413 May cause long lasting harmful effects to aquatic life50% of notifiers

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

Precautionary statements

P234, P261, P264, P264+P265, P270, P271, P273, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P390, P403+P233, P405, P406, P501

Identifiers

CAS number

35138-23-9

SMILES

[B-](F)(F)(F)F.C1/C=C\CC/C=C\C1.C1/C=C\CC/C=C\C1.[Ir]

InChIKey

ZFVHFEXIVQSRNV-QMDOQEJBSA-N

InChI

InChI=1S/2C8H12.BF4.Ir/c2*1-2-4-6-8-7-5-3-1;2-1(3,4)5;/h2*1-2,7-8H,3-6H2;;/q;;-1;/b2*2-1-,8-7-;;

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Names and synonyms

1 names

Bis(1,5-cyclooctadiene)iridium (I) tetrafluoroborate

Work with Bis(1,5-cyclooctadiene)iridium(I) 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

Bis(1,5-cyclooctadienyl)rhodium tetrafluoroborate35138-22-867 % similar 1,5-Cyclooctadiene111-78-440 % similar 1,5-Cyclooctadiene1552-12-140 % similar Tetrafluoroboric acid16872-11-040 % similar 1,5,9-Cyclododecatriene4904-61-440 % similar Trans,trans,trans-1,5,9-Cyclododecatriene676-22-240 % similar Cyclododecatriene706-31-040 % similar Cyclobutene822-35-540 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

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