Phenylacetylene CAS 536-74-3

Phenylacetylene (CAS 536-74-3) is a terminal alkyne, directly connected to an acetylene group by a phenyl group, and is a colorless to pale yellow liquid at room temperature. It is an important organic synthesis intermediate that can participate in various reactions such as Sonogashira coupling and "click chemistry" due to its active alkyne hydrogen. It is widely used in the preparation of luminescent materials, liquid crystals, and drug molecules.

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Model:
536-74-3
Brand:
bosschemical
Code:
536-74-3

Product Description

Phenylacetylene Basic information
Synthesis
Product Name:	Phenylacetylene
CAS:	536-74-3
MF:	C8H6
MW:	102.13
EINECS:	208-645-1
Mol File:	536-74-3.mol
Phenylacetylene Chemical Properties
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.	Store at +2°C to +8°C.
solubility	H2O: insoluble
pka	19(at 25℃)
form	Liquid
color	Clear colorless to yellow
Specific Gravity	0.93
Water Solubility	INSOLUBLE
Sensitive	Light Sensitive
Merck	143,861
BRN	605461
Henry's Law Constant	1.6×10-2 mol/(m3Pa) at 25℃, Duchowicz et al. (2020)
Dielectric constant	3.0（20℃）
Stability:	Stable. Flammable. Incompatible with strong oxidizing agents, acids, halogens.
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)
EPA Substance Registry System	Phenylacetylene (536-74-3)

项目 Items	标准 Specifications	结果 Results
性状 Appearance	白色或微黄色液体 White liquid or light yellow	符合规定 conforms
苯乙烯 Styrene	≤1.0%	0.46%
含量 Assay	≥97.0%	97.44%
结论 CONCLUSION	符合企业标检专 Pass the Enterprise Standard

Phenylacetylene CAS 536-74-3 C8H6 Liquid crystal material synthesis intermediate Dye synthesis intermediate Agrochemical synthesis intermediate

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Chemical detection methods

Spectroscopic Analysis Methods

Ultraviolet-Vis Spectrophotometry (UV-Vis)
Infrared Spectroscopy (IR/FTIR)
Atomic Absorption Spectroscopy (AAS)
X-ray Fluorescence Spectroscopy (XRF)
Nuclear Magnetic Resonance Spectroscopy (NMR)

Chromatographic Analysis

Gas Chromatography (GC)
High Performance Liquid Chromatography (HPLC)
Ion Chromatography (IC)
Thin Layer Chromatography (TLC)

Mass Spectrometry Analysis

GC-MS / LC-MS/MS: Qualitative and Quantitative Analysis
ICP-MS: Trace Metal Elements (ppb Level)
TOF-MS: Precise Molecular Weight Determination

Electrochemical analysis methods

Polypotentiometric methods
Conductivity methods
Polarographic methods / Voltammetric methods
Coulometric analysis

Thermal Analysis Methods

Thermogravimetric Analysis (TGA)
Differential Scanning Calorimetry (DSC)
Differential Thermal Analysis (DTA)

Classical wet chemical analysis

Titration analysis
Gravity analysis