1-Ethynyl-4-nitrobenzene

Basic Information

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CAS Number

937-31-5

Molecular Formula

C8H5NO2

Molecular Weight

147.13 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Nitriles

Fine Chemicals Dyes and Pigments Organic Dyes

Basic Physical Properties

Melting Point

149.0 to 153.0 deg-C

Boiling Point

246.6℃ at 760 mmHg

Density

1.22

Flash Point

112.5°C

Refractive Index

1.579

SMILES

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C#CC1=CC=C(C=C1)[N+](=O)[O-]

InChI

InChI=1S/C8H5NO2/c1-2-7-3-5-8(6-4-7)9(10)11/h1,3-6H

InChIKey

GAZZTEJDUGESGQ-UHFFFAOYSA-N

LogP

2.09930

Complexity

190

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

Synonyms & References

English

1-ETHYNYL-4-NITROBENZENE
4-Nitrophenylacetyle
4-Nitrophenylacetylene
Benzene,1-ethynyl-4-nitro-
Benzene, 1-ethynyl-4-nitro-
1-Ethynyl-4-nitro-benzene
p-nitrophenylacetylene
GAZZTEJDUGESGQ-UHFFFAOYSA-N
(4-Nitrophenyl)ethyne
(p-Nitrophenyl)acetylene
4-Ethynyl-1-nitrobenzene
1-Nitro-4-ethynylbenzene
4-Nitroethynylbenzene
4-Ethynylnitrobenzene
(4-Nitrophenyl)acetylene
NSC71089
p-Nitrophenylacetylen
p-nitrophenylacetylide
p-nitro phenylacetylene
4-Ethynyl-nitrobenzene
4-nitro-1-ethynylbenzene
NCIOpen2_000568
SCH
1-Ethynyl-4-nitrobenzene (ACI)
NSC 71089
p-Ethynylnitrobenzene
p-Nitroethynylbenzene
NSC-71089
937-31-5
Z431535574
J-515883

MDL Number

MFCD00024794

Customs Code

2904209090

FAQ

What are the physical and chemical properties of 1-Ethynyl-4-nitrobenzene (CAS: 937-31-5)?

1-Ethynyl-4-nitrobenzene (CAS: 937-31-5) is a crystalline solid with a molecular weight of approximately 186.07 g/mol. It has a solubility of about 0.75 mg/mL in water and is soluble in solvents like ethanol and acetone. The compound is reactive towards nucleophilic substitution and can undergo nitration, halogenation, and reduction reactions.

How is 1-Ethynyl-4-nitrobenzene (CAS: 937-31-5) typically synthesized?

1-Ethynyl-4-nitrobenzene is commonly synthesized by the nitration of 1-ethynylbenzene. The process typically involves the use of concentrated nitric acid and sulfuric acid as the nitrating agent. The reaction is usually carried out at low temperature to control the selectivity and yield, with an overall yield of around 80-85%.

What industries use 1-Ethynyl-4-nitrobenzene (CAS: 937-31-5)?

1-Ethynyl-4-nitrobenzene is primarily used in the pharmaceutical industry for the synthesis of various intermediates and drugs. It also finds applications in the polymer industry for the production of certain types of resins and plastics. Additionally, it can be used in the development of sensors and semiconductors.

What precautions should be taken when handling 1-Ethynyl-4-nitrobenzene (CAS: 937-31-5)?

1-Ethynyl-4-nitrobenzene should be handled with caution as it can be a skin and eye irritant. Safety precautions include the use of personal protective equipment (PPE) such as gloves, goggles, and a lab coat. Handling should be done in a well-ventilated area or a fume hood. In case of a spill, it is recommended to follow the Material Safety Data Sheet (MSDS) guidelines for cleanup and disposal, ensuring proper handling to avoid environmental contamination.