295493
Propyne
≥99%
Sinónimos:
Allylene, Methylacetylene
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About This Item
Productos recomendados
vapor pressure
204.6 mmHg ( −49.5 °C)
Quality Level
assay
≥99%
bp
−23.2 °C (lit.)
mp
−102.7 °C (lit.)
SMILES string
CC#C
InChI
1S/C3H4/c1-3-2/h1H,2H3
InChI key
MWWATHDPGQKSAR-UHFFFAOYSA-N
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signalword
Danger
hcodes
Hazard Classifications
Flam. Gas 1A - Press. Gas Compr. Gas - STOT SE 3
target_organs
Respiratory system
Storage Class
2A - Gases
wgk_germany
nwg
ppe
Eyeshields, Faceshields, Gloves, multi-purpose combination respirator cartridge (US)
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The present manuscript reports a systematic investigation of the basis set dependence of some properties of hydrogen-bonded (pi type) complexes formed by propyne and a HX molecule, where X=F, Cl and CN. The calculations have been performed at Hartree-Fock, MP2
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A detailed doublet potential energy surface for the reaction of CH with CH(3)CCH is investigated at the B3LYP/6-311G(d,p) and G3B3 (single-point) levels. Various possible reaction pathways are probed. It is shown that the reaction is initiated by the addition of
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To achieve silicon functionalization for the development of hybrid devices, multifunctional molecules may be employed to attach to the silicon surfaces. It is important to get a fundamental understanding about the molecule/silicon interface chemistry and the binding configuration. The surface
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