2-[2-(cyanomethyl)phenyl]acetonitrile

Basic Information

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CAS Number

613-73-0

Molecular Formula

C10H8N2

Molecular Weight

17.03 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Nitriles

Basic Physical Properties

Physical State

No data avaiable

Melting Point

58.0 to 61.0 deg-C

Boiling Point

325.4℃ at 760 mmHg

Density

1.1566 (rough estimate)

Water Solubility

Insoluble in water.

Flash Point

No data available

Refractive Index

1.6057 (estimate)

Vapor Pressure

No data available

SMILES

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

InChI

InChI=1S/H3N/h1H3

InChIKey

QGZKDVFQNNGYKY-UHFFFAOYSA-N

LogP

0.16199999999999998

Topological Polar Surface Area

35.0 Å²

Hydrogen Bond Donor/Acceptor

3 / 1

Complexity

201

Safety Information

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GHS Hazard Pictograms

H301

H311

H331

Hazard Statement

H301 Toxic if swallowed
Acute toxicity, oral

H311 Toxic in contact with skin
Acute toxicity, dermal

H331 Toxic if inhaled
Acute toxicity, inhalation

Hazard Class

Class 6.1 Class 6.1

Synonyms & References

English

NSC-5170
1,2-Bis(cyanomethyl)benzene
FT-0606304
2,2'-(1,2-Phenylene)diacetonitrile
1,2-Phenylenediacetonitrile
NSC 5170
Z1171979160
o-Xylylendicyanid
2,2'-o-Phenylenediacetonitrile
EN300-75165
2,2'-(1,2-Phenylene)diacetonitrile;2,2'-(1,2-Phenylene)diacetonitrile
InChI=1/C10H8N2/c11-7-5-9-3-1-2-4-10(9)6-8-12/h1-4H,5-6H
A24726
FGS58Z5HPA
o-Phenylenediacetonitrile
o-Phenylene diacetonitrile
SCHEMBL1945874
AKOS003388281
o-Xylylene Cyanide
DTXSID00210203
o-Xylylene dicyanide
X0050
EINECS 210-351-3
alpha,alpha'-Dicyano-o-xylene
1,2-Benzenediacetonitrile
W-105164
MFCD00001905
613-23-0
CS-W018007
o-Phenylenediacetonitrile;Phthalic acetonitrile
UNII-FGS58Z5HPA

MDL Number

MFCD00001905

Customs Code

2926909090

FAQ

What regulatory guidelines apply to 2-[2-(cyanomethyl)phenyl]acetonitrile (CAS: 613-73-0)?

The regulatory guidelines that apply to 2-[2-(cyanomethyl)phenyl]acetonitrile (CAS: 613-73-0) include GHS classification, which categorizes it as a flammable liquid and requires appropriate handling and storage. Under REACH regulations, it is also subject to registration, evaluation, and authorization procedures. In the USA, the FDA and EPA have specific requirements for its handling and disposal to ensure environmental and human safety.

Are there alternatives to 2-[2-(cyanomethyl)phenyl]acetonitrile (CAS: 613-73-0) in synthesis?

While 2-[2-(cyanomethyl)phenyl]acetonitrile is commonly used, alternatives include 1,3-dicyanomethylbenzene and other acetonitriles. These compounds can serve as effective substitutes in various synthetic processes, depending on the specific application and desired properties.

What is the market or research trend for 2-[2-(cyanomethyl)phenyl]acetonitrile (CAS: 613-73-0)?

The market for 2-[2-(cyanomethyl)phenyl]acetonitrile (CAS: 613-73-0) is characterized by steady demand in the pharmaceutical and agrochemical industries due to its use as a precursor in the synthesis of various compounds. Research trends indicate a focus on developing more efficient synthesis methods and exploring new applications in organic chemistry.

How should waste containing 2-[2-(cyanomethyl)phenyl]acetonitrile (CAS: 613-73-0) be handled?

Waste containing 2-[2-(cyanomethyl)phenyl]acetonitrile (CAS: 613-73-0) should be collected in appropriate containers and disposed of through professional waste disposal services to ensure environmental safety. Proper incineration or other disposal methods must be used, following local and international regulations to prevent contamination. Environmental protection measures include the use of personal protective equipment and adherence to safety protocols during handling and disposal.