(4-Bromophenylethynyl)trimethylsilane

C₁₁H₁₃BrSiCAS 16116-78-2253.21 g/mol

Open in Covalent MOL file

Alkyne Aryl halide

Properties

Molecular formula: C₁₁H₁₃BrSi
Molar mass: 253.21 g/mol
Exact mass: 251.9970 Da
logP: 3.68Crippen estimate
Polar surface area: 0.0 Å²
H-bond donors / acceptors: 0 / 0
Rotatable bonds: 0

Hazards

Warning

H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers

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

Precautionary statements

P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, P362+P364

Identifiers

CAS number

16116-78-2

SMILES

C[Si](C)(C)C#CC1=CC=C(C=C1)Br

InChIKey

RNMSGCJGNJYDNS-UHFFFAOYSA-N

InChI

InChI=1S/C11H13BrSi/c1-13(2,3)9-8-10-4-6-11(12)7-5-10/h4-7H,1-3H3

Weigh it out

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

Work with (4-Bromophenylethynyl)trimethylsilane

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

1,4-Bis[(trimethylsilyl)ethynyl]benzene17938-13-574 % similar 1-Phenyl-2-(trimethylsilyl)acetylene2170-06-159 % similar Bis(4-bromophenyl)acetylene2789-89-158 % similar 4-(Trimethylsilyl)ethynylbenzaldehyde77123-57-053 % similar 1,3-Bis[(trimethylsilyl)ethynyl]benzene38170-80-852 % similar 3-[2-(Trimethylsilyl)ethynyl]thiophene130995-13-047 % similar 1-Bromo-4-trimethylsilylbenzene6999-03-746 % similar 3-(Trimethylsilylethynyl)pyridine80673-00-344 % similar

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

Elsewhere

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