3-Anilinopropanenitrile

Basic Information

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CAS Number

1075-76-9

Molecular Formula

C9H10N2

Molecular Weight

17.03 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Nitriles

Basic Physical Properties

Melting Point

48.0 to 53.0 deg-C

Boiling Point

160°C/6mmHg

Flash Point

>230 °F

Refractive Index

1.6210 (estimate)

SMILES

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

InChI

InChI=1S/C9H10N2/c10-7-4-8-11-9-5-2-1-3-6-9/h1-3,5-6,11H,4,8H2

InChIKey

FENJKTQEFUPECW-UHFFFAOYSA-N

LogP

0.16199999999999998

Topological Polar Surface Area

35.0 Å²

Hydrogen Bond Donor/Acceptor

3 / 1

Complexity

139

Safety Information

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Hazard Statement

H303 May be harmful if swallowed
Acute toxicity, oral

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

Hazard Class

Class IRRITANT Class IRRITANT

Synonyms & References

English

NS00023468
FT-0615080
FS-4311
Aniline, N-beta-cyanoethyl-
SCHEMBL141474
.beta.-Anilinopropionitrile
FENJKTQEFUPECW-UHFFFAOYSA-
3-(N-PHENYLAMINO)PROPIONITRILE
PROPIONITRILE, 3-ANILINO-
beta-anilino-propionitrile
UNII-S4YM38H4U6
3-Phenylamino-propionitrile
2-Phenylaminopropionitrile
3-Anilinopropanenitrile
N-(Cyanoethyl)aniline
HMS1763A07
3-Anilinopropionitrile
S4YM38H4U6
DTXSID8051548
CCG-40368
3-(phenylamino)propanenitrile
NSC 80663
CS-0076406
Propanenitrile, 3-anilino-
3-anilino-propionitrile
E70307
W-108743
AI3-52560
BAA07576
3-(phenylamino)propionitrile
N-(2-Cyanoethyl)aniline

MDL Number

MFCD00001953

Customs Code

2926909090

FAQ

What regulatory guidelines apply to 3-Anilinopropanenitrile (CAS: 1075-76-9)?

3-Anilinopropanenitrile (CAS 1075-76-9) falls under the scope of the Globally Harmonized System of Classification and Labelling of Chemicals (GHS), and is regulated by REACH (Registration, Evaluation, Authorization and Restriction of Chemicals) in the European Union. In the U.S., it is subject to regulations by the EPA and FDA for its manufacturing, importation, and use. Compliance with these regulations is crucial for safe handling and disposal.

Are there alternatives to 3-Anilinopropanenitrile in synthesis?

While 3-Anilinopropanenitrile is a useful intermediate in various synthetic pathways, there are alternatives such as other anilino compounds or nitriles with different substituents. For instance, 3-Phenylpropanenitrile can be used as a similar reagent in some applications. The choice of alternative depends on the specific reaction requirements and desired product properties.

What is the market or research trend for 3-Anilinopropanenitrile (CAS: 1075-76-9)?

The market for 3-Anilinopropanenitrile (CAS 1075-76-9) is driven by its use in pharmaceuticals, agrochemicals, and dyes. Recent research trends focus on developing more sustainable and environmentally friendly synthesis methods. Additionally, there is an increasing interest in its applications in advanced materials and new drug discovery, reflecting its versatile nature and potential in various industries.

How should waste containing 3-Anilinopropanenitrile (CAS: 1075-76-9) be handled?

Waste containing 3-Anilinopropanenitrile (CAS 1075-76-9) should be collected in a sealed, labeled container and handled in accordance with local regulations. It is best managed through professional waste disposal services that specialize in hazardous waste. Precautions include ensuring proper ventilation and personal protective equipment to prevent exposure. Disposal should follow the guidelines of the EPA and local authorities to minimize environmental impact.