2-Methyl-2-(4-nitrophenyl)propanenitrile

Basic Information

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CAS Number

71825-51-9

Molecular Formula

C10H10N2O2

Molecular Weight

17.03 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

80-81.5 ºC

Boiling Point

330.6°C at 760 mmHg

Density

1.178±0.06 g/cm3 (20 ºC 760 Torr),

SMILES

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

InChI

InChI=1S/C10H10N2O2/c1-10(2,7-11)8-3-5-9(6-4-8)12(13)14/h3-6H,1-2H3

InChIKey

XZVURMRLCAFELZ-UHFFFAOYSA-N

LogP

0.16199999999999998

Topological Polar Surface Area

35.0 Å²

Hydrogen Bond Donor/Acceptor

3 / 1

Complexity

264

Safety Information

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GHS Hazard Pictograms

H302

Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

Synonyms & References

English

AM85889
DS-14157
DTXSID60356414
BENZENEACETONITRILE, A,A-DIMETHYL-4-NITRO-
AG-670/36154045
2-Methyl-2-(4-nitrophenyl)propionitrile
CS-B0354
SCHEMBL395484
2-{4-nitrophenyl}-2-methylpropanenitrile
A837337
2-methyl-2-(4-nitro-phenyl)-propionitrile
AKOS006272838
MFCD00844930
2-methyl-2-(4-nitrophenyl)propanenitrile
PB19893
2-methyl-2-(4-nitrophenyl) propanenitrile
BCP31974
71825-51-9
FT-0658087
XZVURMRLCAFELZ-UHFFFAOYSA-N
p-nitrocumyl cyanide
2-methyl-2-(4-nitrophenyl)propanonitril
AMBZ0316
WT81708
2-methyl-2-(4-n

MDL Number

MFCD00844930

Customs Code

2926909090

FAQ

What regulatory guidelines apply to 2-Methyl-2-(4-nitrophenyl)propanenitrile (CAS: 71825-51-9)?

2-Methyl-2-(4-nitrophenyl)propanenitrile (CAS: 71825-51-9) falls under the GHS classification as a Hazardous Substance. It must comply with REACH regulations for chemical substances, including registration, notification, and authorization. The FDA and EPA regulate its use and disposal in the United States, ensuring proper handling and disposal to prevent environmental contamination and ensure worker safety.

Are there alternatives to 2-Methyl-2-(4-nitrophenyl)propanenitrile (CAS: 71825-51-9) in synthesis?

Several alternatives can be used in the synthesis of 2-Methyl-2-(4-nitrophenyl)propanenitrile (CAS: 71825-51-9), such as 2-methyl-2-(3-nitrophenyl)propanenitrile, 2-phenyl-2-(4-nitrophenyl)propanenitrile, and 2-(4-nitrophenyl)propanenitrile. Common alternative reagents include anilines, phenols, and nitriles, which can offer similar functionalities and reactivities.

What is the market or research trend for 2-Methyl-2-(4-nitrophenyl)propanenitrile (CAS: 71825-51-9)?

The market for 2-Methyl-2-(4-nitrophenyl)propanenitrile (CAS: 71825-51-9) is driven by its applications in pharmaceuticals and agrochemicals. Recent research trends focus on its use as a precursor for synthesizing new drugs and pesticides. The demand is expected to grow with advancements in organic synthesis and the increasing need for specialty chemicals in the pharmaceutical industry.

How should waste containing 2-Methyl-2-(4-nitrophenyl)propanenitrile (CAS: 71825-51-9) be handled?

Waste containing 2-Methyl-2-(4-nitrophenyl)propanenitrile (CAS: 71825-51-9) should be collected in appropriate containers and stored under sealed conditions to prevent contamination. It should be disposed of through incineration or a professional waste disposal service that adheres to regulatory guidelines. Environmental protection measures include proper labeling, minimizing exposure, and following safe handling practices to ensure worker safety and compliance with environmental regulations.