1-Ethynyl-3-nitrobenzene

Basic Information

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CAS Number

3034-94-4

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

Boiling Point

120°C/11mmHg

Flash Point

105.9℃

SMILES

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

InChI

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

InChIKey

JOUOQPWPDONKKS-UHFFFAOYSA-N

LogP

2.09930

Complexity

198

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-3-nitrobenzene
EINECS 221-232-0
Benzene, 1-ethynyl-3-nitro-
m-nitrophenylacetylene
SCHEMBL1477030
(3R)-METHYL-PYRROLIDINEHYDROCHLORIDE
MFCD02181150
DTXSID9062807
JOUOQPWPDONKKS-UHFFFAOYSA-N
AKOS005257078
FT-0649306
N1148
A876216
CS-W004347
3-nitrophenylacetylene'
3-Nitrophenylacetylene
J-504618
3034-94-4
GS-4365
AMY6090
SY009354
C8H5NO2
NS00020631
EN300-226819
AB11482
1-Aethinyl-3-nitro-benzol
1-ethynyl-3-nitro-benzene
3-ethynylnitrobenzene
3-Nitrophenylethyne
Benzene,1-ethynyl-3-nitro
1-ethynyl-3-nitrobenzene

MDL Number

MFCD02181150

FAQ

What regulatory guidelines apply to 1-Ethynyl-3-nitrobenzene (CAS: 3034-94-4)?

1-Ethynyl-3-nitrobenzene (CAS: 3034-94-4) is classified under the Globally Harmonized System of Classification and Labeling of Chemicals (GHS) as a flammable liquid and a hazardous substance. It is subject to regulations under the European Union’s REACH (Registration, Evaluation, Authorization and Restriction of Chemicals) for registration and classification. In the United States, it falls under the Environmental Protection Agency (EPA) and the Food and Drug Administration (FDA) for environmental and safety regulations. Proper labeling and handling procedures are required to ensure compliance.

Are there alternatives to 1-Ethynyl-3-nitrobenzene (CAS: 3034-94-4) in synthesis?

For the synthesis of 1-Ethynyl-3-nitrobenzene (CAS: 3034-94-4), there are alternative reagents such as 3-nitrobenzene-1-carbaldehyde and 3-nitrobenzaldehyde that can be used as precursors. Isomers and analogs like 2-ethynyl-3-nitrobenzene can also be considered depending on the desired molecular structure. These alternatives can offer similar functional groups but with different physical and chemical properties, providing flexibility in the synthesis process.

What is the market or research trend for 1-Ethynyl-3-nitrobenzene (CAS: 3034-94-4)?

The market for 1-Ethynyl-3-nitrobenzene (CAS: 3034-94-4) is primarily driven by its use in the pharmaceutical and chemical industries. Recent research trends focus on its application in the development of new drugs and as a precursor for synthesizing other compounds. Market trends show increasing demand in the production of intermediates for drug synthesis and as a building block for organic synthesis. Advancements in green chemistry and sustainable chemical processes are also influencing the research and development in this area.

How should waste containing 1-Ethynyl-3-nitrobenzene (CAS: 3034-94-4) be handled?

Waste containing 1-Ethynyl-3-nitrobenzene (CAS: 3034-94-4) should be collected in appropriate containers and stored separately from other waste materials. Proper labeling is essential to ensure safety. For safe disposal, the waste should be incinerated in a controlled environment or treated with chemical methods to neutralize any hazardous components. Professional waste disposal services should be utilized to handle the waste in compliance with local regulations. Environmental protection measures, including the use of protective equipment and adherence to safety guidelines, are crucial during handling and disposal to prevent environmental contamination.