295493
Propyne
≥99%
Synonym(s):
Allylene, Methylacetylene
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About This Item
Linear Formula:
CH3C≡CH
CAS Number:
Molecular Weight:
40.06
EC Number:
MDL number:
UNSPSC Code:
12162002
PubChem Substance ID:
NACRES:
NA.23
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Recommended Products
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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Signal Word
Danger
Hazard Statements
Precautionary Statements
Hazard Classifications
Flam. Gas 1A - Press. Gas Compr. Gas - STOT SE 3
Target Organs
Respiratory system
Storage Class Code
2A - Gases
WGK
nwg
Personal Protective Equipment
dust mask type N95 (US), Eyeshields, Gloves
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Alessandra M Tavares et al.
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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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