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Ethynylbenzene
[CAS# 126716-66-3]

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Identification
Name Ethynylbenzene
Synonyms 1-ethynylbenzene
Molecular Structure CAS#: 126716-66-3, Ethynylbenzene
Molecular Formula C8H6
Molecular Weight 102.13
CAS Registry Number 126716-66-3
SMILES C#CC1=CC=CC=C1
InChI 1S/C8H6/c1-2-8-6-4-3-5-7-8/h1,3-7H
InChIKey UEXCJVNBTNXOEH-UHFFFAOYSA-N
Properties
Density 20 (Expl.)
1.0±0.1g/cm3 (Cal.)
Melting point -45°C (Expl.)
Boiling point 142-144°C (Expl.)
142.4±9.0°C at 760 mmHg (Cal.)
Flash point 31.111°C (Cal.)
27°C (Expl.)
Refractive index 1.549 (Expl.)
1.542 (Cal.)
Safety Data
Safety Code S23;S26;S36;S62  Details
Risk Code R10;R36/37;R65  Details
Hazard Symbol symbol  X  Details
Transport Information UN3295
Safety Description DANGER: FLAMMABLE, causes lung damage
IRRITANT
Flammable/Harmful/Lachrymatory/Moisture Sensitive/Light Sensitive/Keep Cold
References
(1) A. Alberto Núñez Magro, Lynzi-Marie Robb, Peter J. Pogorzelec, Alexandra M. Z. Slawin, Graham R. Eastham and David J. Cole-Hamilton. Highly selective formation of unsaturated esters or cascade reactions to α,ω-diesters by the methoxycarbonylation of alkynes catalysed by palladium complexes of 1,2-bis(ditertbutylphosphinomethyl)benzene, Chem. Sci., 2010, 1, 723.
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