2-Phenylbutanenitrile

Basic Information

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CAS Number

769-68-6

Molecular Formula

C10H11N

Molecular Weight

145.2 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Nitriles

Basic Physical Properties

Boiling Point

114-115 °C/15 mmHg

Density

0.974 g/mL at 25 °C

Refractive Index

n20/D 1.5086(lit.)

SMILES

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CCC(C#N)C1=CC=CC=C1

InChI

InChI=1S/C10H11N/c1-2-9(8-11)10-6-4-3-5-7-10/h3-7,9H,2H2,1H3

InChIKey

IZPUPXNVRNBDSW-UHFFFAOYSA-N

LogP

2.70378

Complexity

148

Safety Information

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Hazard Statement

Hazard Class

Class 6.1 Class 6.1

Synonyms & References

English

W-104332
AKOS009158137
EINECS 212-213-8
NSC2373
a-Ethylphenylacetonitrile
2-Phenylbutanenitrile
2-Phenylbutyronitrile, 95%
1-Cyano-1-phenylpropane
Butanenitrile, 2-phenyl
MFCD00001876
2-Phenylbutanenitrile #
(+/-)-2-Phenylbutyronitrile
DTXSID00862408
STR05239
Butyronitrile, 2-phenyl-
NS00042131
(.+/-.)-2-Phenylbutyronitrile
NSC-2373
NSC 11272
DL-2-Phenylbutyronitrile
F71302
Benzeneacetonitrile, alpha-ethyl-
2-phenyl-butyronitrile
FT-0613329
?2-PHENYLBUTYRONITRILE
2-Phenylbutanentrile
769-68-6
alpha-Phenylbutyronitrile
NSC 2373
NSC11272
SCHEMBL181368

MDL Number

MFCD00001876

FAQ

What regulatory guidelines apply to 2-Phenylbutanenitrile (CAS: 769-68-6)?

2-Phenylbutanenitrile (CAS: 769-68-6) falls under the regulatory guidelines of the Globally Harmonized System of Classification and Labelling of Chemicals (GHS), including classification for health hazards, flammability, and reactivity. In the EU, it is regulated under REACH, requiring pre-market registration and reporting. For FDA and EPA, it is subject to reporting requirements for toxicological data and environmental impact assessments.

Are there alternatives to 2-Phenylbutanenitrile (CAS: 769-68-6) in synthesis?

Alternatives to 2-Phenylbutanenitrile (CAS: 769-68-6) in synthesis include 2-Phenylpropanenitrile and 2-Phenylpentanenitrile. Common alternative reagents and substitutes include nitrile compounds with different alkyl chains, such as acetonitrile or benzonitrile, which can serve similar functional roles in certain organic reactions.

What is the market or research trend for 2-Phenylbutanenitrile (CAS: 769-68-6)?

The market for 2-Phenylbutanenitrile (CAS: 769-68-6) is growing due to its use in pharmaceuticals and agrochemicals. Research trends focus on its application in drug synthesis and as an intermediate in various chemical reactions. Market dynamics include increasing demand in emerging economies and ongoing development of greener synthesis methods.

How should waste containing 2-Phenylbutanenitrile (CAS: 769-68-6) be handled?

Waste containing 2-Phenylbutanenitrile (CAS: 769-68-6) should be collected in appropriate containers, labeled with the chemical name and CAS number. It should be disposed of through incineration or professional waste disposal services, ensuring compliance with local and regional regulations. Environmental protection measures include proper containment to prevent leaks and spills, and the use of personal protective equipment during handling and disposal.