3-Bromo-1-(triisopropylsilyl)pyrrole

C₁₃H₂₄BrNSiCAS 87630-36-2302.33 g/mol

Open in Covalent MOL file

Aryl halide

Properties

Molecular formula: C₁₃H₂₄BrNSi
Molar mass: 302.33 g/mol
Exact mass: 301.0861 Da
logP: 5.27Crippen estimate
Polar surface area: 4.9 Å²
H-bond donors / acceptors: 0 / 0
Rotatable bonds: 4

Hazards

Warning

H302 Harmful if swallowed66.7% of notifiers
H312 Harmful in contact with skin66.7% of notifiers
H315 Causes skin irritation83.3% of notifiers
H319 Causes serious eye irritation83.3% of notifiers
H332 Harmful if inhaled66.7% of notifiers
H335 May cause respiratory irritation66.7% of notifiers

Aggregated from 6 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

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

Identifiers

CAS number

87630-36-2

SMILES

CC(C)[Si](C(C)C)(C(C)C)N1C=CC(=C1)Br

InChIKey

CNAUTMPRKBSDLH-UHFFFAOYSA-N

InChI

InChI=1S/C13H24BrNSi/c1-10(2)16(11(3)4,12(5)6)15-8-7-13(14)9-15/h7-12H,1-6H3

Weigh it out

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Work with 3-Bromo-1-(triisopropylsilyl)pyrrole

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

1-(Triisopropylsilyl)pyrrole-3-boronic acid138900-55-751 % similar 1-(Triisopropylsilyl)pyrrole87630-35-145 % similar 3-Bromo-1-(triisopropylsilyl)-1H-pyrrolo[2,3-b]pyridine918525-02-734 % similar 1-Bromo-4-isopropylbenzene586-61-830 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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