ChemicalBook CAS DataBase List 536-74-3

536-74-3

Name	Phenylacetylene
CAS	536-74-3
EINECS(EC#)	208-645-1
Molecular Formula	C8H6
MDL Number	MFCD00008570
Molecular Weight	102.13
MOL File	536-74-3.mol

Chemical Properties

Appearance	colourless liquid
Melting point	-44.8 °C
Boiling point	142-144 °C (lit.)
density	0.93 g/mL at 25 °C(lit.)
vapor pressure	17.6 mm Hg ( 37.7 °C)
refractive index	n20/D 1.549(lit.)
Fp	88 °F
storage temp.	2-8°C
solubility	H2O: insoluble
form	Liquid
pka	19(at 25℃)
color	Clear colorless to yellow
Specific Gravity	0.930
Stability:	Stable. Flammable. Incompatible with strong oxidizing agents, acids, halogens.
Water Solubility	INSOLUBLE
Sensitive	Light Sensitive
Detection Methods	GC,NMR
Merck	14,3861
BRN	605461
Henry's Law Constant	1.6×10^-2 mol/(m³Pa) at 25℃, Duchowicz et al. (2020)
Dielectric constant	3.0（20℃）
InChI	1S/C8H6/c1-2-8-6-4-3-5-7-8/h1,3-7H
InChIKey	UEXCJVNBTNXOEH-UHFFFAOYSA-N
SMILES	C#Cc1ccccc1
CAS DataBase Reference	536-74-3(CAS DataBase Reference)
NIST Chemistry Reference	Phenylacetylene(536-74-3)
Storage Precautions	Moisture sensitive
EPA Substance Registry System	536-74-3(EPA Substance)

Safety Data

Symbol(GHS)	GHS02,GHS07,GHS08
Signal word	Danger
Hazard statements	H226-H315-H319-H335-H350
Precautionary statements	P202-P210-P233-P303+P361+P353-P305+P351+P338-P308+P313
Hazard Codes	Xn
Risk Statements	R10:Flammable. R36/37/38:Irritating to eyes, respiratory system and skin . R40:Limited evidence of a carcinogenic effect. R65:Harmful: May cause lung damage if swallowed. less more
Safety Statements	S16:Keep away from sources of ignition-No smoking . S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice . S36/37/39:Wear suitable protective clothing, gloves and eye/face protection . S45:In case of accident or if you feel unwell, seek medical advice immediately (show label where possible) . less more
RIDADR	UN 3295 3/PG 3
WGK Germany	1
RTECS	DA0780000
F	8-19
TSCA	Y
REACH Registrations	Active
HazardClass	3
PackingGroup	III
HS Code	29029090
Storage Class	3 - Flammable liquids
Hazard Classifications	Aquatic Chronic 3 Carc. 1B Eye Dam. 1 Flam. Liq. 3 Skin Corr. 1B

Raw materials And Preparation Products

Hazard Information

Description

Phenylacetylene is an alkyne hydrocarbon containing a phenyl group. It exists as a colorless, viscous liquid. In research, it is sometimes used as an analog for acetylene; being a liquid, it is easier to handle than acetylene gas.
Phenylacetylene undergoes polymerization catalyzed by Rh and Pt complexes to form polyphenylacetylene.

Chemical Properties

colourless liquid

Uses

Ethynylbenzene, an aromatic hydrocarbon, is important in the petrochemical industry as an intermediate in the production of styrene, which in turn is used for making polystyrene, a common plastic mate rial.

Application

Terminal acetylene used in the conversion of nitrones to alkynyl hydroxyl amines in the presence of trimethylaluminum.
Phenylacetylene was used in a study to investigate the mechanism of product formation during the palladium-catalysed phenylacetylene oxidative carbonylation reaction.

Definition

ChEBI: Ethynylbenzene is a member of benzenes.

Synthesis Reference(s)

Journal of the American Chemical Society, 89, p. 4487, 1967 DOI: 10.1021/ja00993a043

General Description

Phenylacetylene undergoes polymerization catalyzed by Rh and Pt complexes to form polyphenylacetylene.

Flammability and Explosibility

Flammable

Purification Methods

Distil phenylacetylene through a spinning band column. It should be filtered through a short column of alumina before use [Collman et al. J Am Chem Soc 108 2988 1986; for pK see Brandsma Preparative Acetylenic Chemistry, 1st Edn Elsevier 1971, p. 15, ISBN 0444409475]. [Beilstein 5 IV 1525.]

Precautions

Store in cool place. Moisture sensitive. Keep the container tightly closed in a dry and well-ventilated place. Incompatible with acids, halogens, alkali metals and oxidizing agents.

Material Safety Data Sheet(MSDS)

Questions And Answer

Spectrum Detail

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