2,2'-(1,4-Phenylene)diacetonitrile

Basic Information

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CAS Number

622-75-3

Molecular Formula

C10H8N2

Molecular Weight

17.03 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Nitriles

Basic Physical Properties

Melting Point

96.0 to 99.0 deg-C

Boiling Point

334°C at 760 mmHg

Density

1.1566 (rough estimate)

Water Solubility

Insoluble in water.

Flash Point

163.6±16.2 °C

Refractive Index

1.6057 (estimate)

SMILES

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C1=CC(=CC=C1CC#N)CC#N

InChI

InChI=1S/C10H8N2/c11-7-5-9-1-2-10(4-3-9)6-8-12/h1-4H,5-6H2

InChIKey

FUQCKESKNZBNOG-UHFFFAOYSA-N

LogP

0.16199999999999998

Topological Polar Surface Area

35.0 Å²

Hydrogen Bond Donor/Acceptor

3 / 1

Complexity

193

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

Hazard Class

Class 6.1 Class 6.1

Synonyms & References

English

1,4-Phenylenediacetonitrile
2-[4-(cyanomethyl)phenyl]acetonitrile
DTXSID7060758
FT-0656280
1,4-Bis(cyanomethyl)benzene
NS00034991
InChI=1/C10H8N2/c11-7-5-9-1-2-10(4-3-9)6-8-12/h1-4H,5-6H
EINECS 210-751-8
SCHEMBL2154504
X0061
9UNC3XG7WL
AS-14850
alpha,alpha'-Dicyano-p-xylene
NSC 513731
622-75-3
14-Phenylenediacetonitrile
2,2'-(1,4-phenylene)diacetonitrile
A24728
CS-W021467
p-xylylenedicyanide
UNII-9UNC3XG7WL
1,4-Phenylenediacetonitrile, 99%
AC-16938
p-Xylylene dicyanide
W-105023
p-(Cyanomethyl)benzyl cyanide
AC9624
MFCD00001923
AI3-28790
NSC-513731
p-Benzenediacetonitrile

MDL Number

MFCD00001923

Customs Code

2926909090

FAQ

What regulatory guidelines apply to 2,2'-(1,4-Phenylene)diacetonitrile (CAS: 622-75-3)?

2,2'-(1,4-Phenylene)diacetonitrile (CAS: 622-75-3) is subject to various regulatory guidelines. Globally, it falls under the GHS (Globally Harmonized System of Classification and Labelling of Chemicals) for classification and labelling. In the European Union, it is regulated by REACH, which requires manufacturers and importers to register substances with the ECHA (European Chemicals Agency). In the United States, FDA and EPA regulations apply for its handling and disposal, ensuring it meets safety and environmental standards.

Are there alternatives to 2,2'-(1,4-Phenylene)diacetonitrile (CAS: 622-75-3) in synthesis?

Yes, there are alternatives to 2,2'-(1,4-Phenylene)diacetonitrile (CAS: 622-75-3) in synthesis. Common alternatives include 1,3-phenylenediacetonitrile and 1,2-phenylenediacetonitrile. These alternatives can offer similar properties and are often chosen based on specific reaction conditions or desired product characteristics. Other substitutes might include related nitriles or more environmentally friendly compounds.

What is the market or research trend for 2,2'-(1,4-Phenylene)diacetonitrile (CAS: 622-75-3)?

The market and research trend for 2,2'-(1,4-Phenylene)diacetonitrile (CAS: 622-75-3) are focused on its applications in various industries. It is primarily used in the synthesis of dyes, pigments, and pharmaceuticals. Research trends include exploring its use in sustainable chemistry and developing safer alternatives. Market trends show a growing emphasis on eco-friendly products and processes, which may drive innovations in its application and formulation.

How should waste containing 2,2'-(1,4-Phenylene)diacetonitrile (CAS: 622-75-3) be handled?

Waste containing 2,2'-(1,4-Phenylene)diacetonitrile (CAS: 622-75-3) should be handled according to local regulations and safety guidelines. Collection of waste should be done in a closed container to prevent spillage. For disposal, incineration is a common method, but professional waste disposal services are recommended. Environmental precautions include proper ventilation and the use of personal protective equipment (PPE) to minimize exposure. Always consult the Material Safety Data Sheet (MSDS) for specific disposal instructions.