| Identification | More | [Name]
Phenylacetylene | [CAS]
536-74-3 | [Synonyms]
AKOS BBS-00004407
PHENYLACETYLENE
Phenylacetylene Acetylene benzene
1-Phenylethyne
Acetylene, phenyl-
acetylene,phenyl-
Benzene, ethynyl-
Benzene,ethynyl-
Ethinylbenzene
Ethyne, phenyl-
ethyne,phenyl-
Ethynylbenaene
ethynyl-benzen
phenyl-acetylen
phenylacetylide
Phenylethyne
Phenylacetylene, 98+%
acetylene benzene
Benzene, ethynyl-(8CI, 9CI)
Phenylacetylene, pure, 98% | [EINECS(EC#)]
208-645-1 | [Molecular Formula]
C8H6 | [MDL Number]
MFCD00008570 | [Molecular Weight]
102.13 | [MOL File]
536-74-3.mol |
| Chemical Properties | Back Directory | [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) |
| Questions And Answer | Back Directory | [Synthesis]
It is suitable for the synthesis of Terminal Alkynes by the reaction of substituted benzaldehyde with alkali. 2-bromovinyl benzene can be obtained by reacting 2,3-dibromo-3-phenylpropionic acid with base and triethylamine in DMF, and then it can be directly reacted with potassium hydroxide to obtain the desired product Phenylacetylene.
|
| Safety Data | Back Directory | [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. | [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) . | [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 | Back Directory | [Raw materials]
beta-Bromostyrene | [Preparation Products]
4-Phenylethynylphthalic anhydride-->Diphenylacetylene-->5-(2-Phenyleth-1-ynyl)thiophene-2-carbaldehyde-->1,2-Naphthalic anhydride-->4-Phenylpiperidine-->PPV-->(S)-(-)-1-Phenylethanol-->polyphenylene (III)-->E-Phenylethenylboronic acid-->Chalcone-->Phenylpropiolic acid-->4-Methylcumarin-->7-chlorobicyclo[4.2.0]octa-1,3,5-triene-->Atropaldehyde-->Benzonitrile, 4-(1-oxo-3-phenyl-2-propynyl)--->1,2,4,5-tetraphenylbenzene-->2-Phenylquinolin-4-ol-->1,2-Ethanedione, 1-phenyl-2-(1-piperidinyl)-
Piperidine, 1-(oxophenylacetyl)- (9CI)-->L-Homophenylalanine ethyl ester hydrochloride |
| Hazard Information | Back Directory | [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. |
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| Company Name: |
Alfa Aesar
|
| Telephone: |
400-6106006 |
| Website: |
http://chemicals.thermofisher.cn |
| Company Name: |
Energy Chemical
|
| Telephone: |
400-0056266 |
| Website: |
www.energy-chemical.com |
|