1-Propyn-1-ylbenzene

Basic Information

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CAS Number

673-32-5

Molecular Formula

C9H8

Molecular Weight

30.07 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Nitriles

Basic Physical Properties

Boiling Point

185 °C

Density

0.928 g/mL at 25 °C

Water Solubility

Sparingly soluble in water (0.26 g/L) (25°C).

Refractive Index

n20/D 1.564(lit.)

SMILES

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CC#CC1=CC=CC=C1

InChI

InChI=1S/C9H8/c1-2-6-9-7-4-3-5-8-9/h3-5,7-8H,1H3

InChIKey

GHUURDQYRGVEHX-UHFFFAOYSA-N

LogP

1.0262

Topological Polar Surface Area

0.0 Å²

Hydrogen Bond Donor/Acceptor

0 / 0

Complexity

127

Safety Information

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Hazard Statement

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

H335 May cause respiratory irritation
Specific target organ toxicity, single exposure; Respiratory tract irritation

Sensitiveness

Sensitive to light and air

Synonyms & References

English

673-32-5
EINECS 211-607-7
Methylphenylethyne
Phenylmethylacetylene
CS-W013608
1-phenyl-1-propine
NS00042390
448376BFQC
1-Phenylpropyne
FT-0608231
SY048557
Prop-1-ynylbenzene
EN300-315540
Prop-1-ynyl-benzene
P0219
phenylpropyne
1-Phenylpropyne-1
Propyne, 1-phenyl-
ghl.PD_Mitscher_leg0.471
1-Phenyl-1-propyne, 99%
MFCD00009272
DTXSID10217667
CHEMBL105998
BDBM50026185
D71012
Q27258719
1-Methyl-2-phenylacetylene
Methylphenylacetylene
(prop-1-yn-1-yl)benzene
1-Propynylbenzene
AKOS015888271

MDL Number

MFCD00009272

Customs Code

2902909090

FAQ

What are the physical and chemical properties of 1-Propyn-1-ylbenzene (CAS: 673-32-5)?

1-Propyn-1-ylbenzene is a crystalline solid with a molecular weight of approximately 111.17 g/mol. It is slightly soluble in water but more soluble in organic solvents like ethanol and acetone. Chemically, it is relatively stable but can undergo reactions such as addition and substitution. The compound has a melting point of about 44-45°C and a boiling point of around 121-123°C. It is less reactive than similar aromatic compounds but can participate in various organic transformations.

How is 1-Propyn-1-ylbenzene (CAS: 673-32-5) typically synthesized?

1-Propyn-1-ylbenzene is commonly synthesized via the Grignard reaction, where propargyl bromide reacts with phenyl magnesium bromide. This method provides good selectivity and yield. Alternatively, it can be synthesized from propyne and benzene in the presence of a palladium catalyst, offering an efficient route with high yield and good purity.

What industries use 1-Propyn-1-ylbenzene (CAS: 673-32-5)?

1-Propyn-1-ylbenzene is used in the pharmaceutical and polymer industries for the synthesis of various medicinals and polymers. In the pharmaceutical sector, it serves as a starting material for producing drugs. In polymer chemistry, it is utilized in the development of novel materials with specific properties. Additionally, it finds applications in the production of sensors and semiconductor materials.

What precautions should be taken when handling 1-Propyn-1-ylbenzene (CAS: 673-32-5)?

When handling 1-Propyn-1-ylbenzene, it is essential to use personal protective equipment (PPE) such as gloves, goggles, and a lab coat. Work should be conducted in a fume hood to minimize exposure. Spills should be cleaned up immediately using appropriate absorbents. It is also important to have a safety data sheet (SDS) readily available for reference. Handling should be performed with care, and the compound should be stored in a cool, dry place away from sources of ignition.