[(Diphenylmethylene)amino]acetonitrile

Basic Information

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CAS Number

70591-20-7

Molecular Formula

C15H12N2

Molecular Weight

17.03 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Nitriles

Fine Chemicals Dyes and Pigments Organic Dyes

Basic Physical Properties

Melting Point

83.0 to 87.0 deg-C

Boiling Point

343.6℃ at 760 mmHg

Density

1.1405 (rough estimate)

Flash Point

161.6℃

Solubility

95% ethanol: soluble50mg/mL, clear, colorless to faintly yellow

Refractive Index

1.5000 (estimate)

SMILES

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C1=CC=C(C=C1)C(=NCC#N)C2=CC=CC=C2

InChI

InChI=1S/C15H12N2/c16-11-12-17-15(13-7-3-1-4-8-13)14-9-5-2-6-10-14/h1-10H,12H2

InChIKey

VRLJFRODHVSTIK-UHFFFAOYSA-N

LogP

0.16199999999999998

Topological Polar Surface Area

35.0 Å²

Hydrogen Bond Donor/Acceptor

3 / 1

Complexity

278

Safety Information

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GHS Hazard Pictograms

H302

H312

H315

H319

H332

H335

Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

H312 Harmful in contact with skin
Acute toxicity, dermal

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

H332 Harmful if inhaled
Acute toxicity, inhalation

H335 May cause respiratory irritation
Specific target organ toxicity, single exposure; Respiratory tract irritation

Synonyms & References

English

2-[(Diphenylmethylene)amino]acetonitrile
DS-1105
SY017493
2-aminoacetonitrile benzophenone imine
EN300-381183
DTXSID20346513
N-2-(Diphenylmethylene)iminoacetonitrile
Diphenylmethyleniminoacetonitrile
[(Diphenylmethylene)amino]acetonitrile
HMS3338E17
70591-20-7
2-[(diphenylmethylidene)amino]acetonitrile
[(Diphenylmethylene)amino]acetonitrile #
[(diphenylmethylidene)amino]acetonitrile
AC-5716
FT-0652204
HMS2200E05
N-(Diphenylmethylene)aminoacetonitrile
[(Diphenylmethylene)amino]methyl cyanide;(Benzhydrylideneamino)acetonitrile;(Diphenylmethyleneamino)acetonitrile;[(Benzhydrylidene)amino]acetonitrile;[(Diphenylmethylene)amino]acetonitrile;2-[(Diphenylmethylene)amino]acetonitrile
2-(benzhydrylideneamino)acetonitrile
AM20041053
N-(Diphenylmethylene) aminoacetonitrile
N-(Diphenylmethylene)aminoacetonitrile, 98%
SMR001224382
(benzhydrylideneamino)-acetonitrile
(Benzhydrylidene-amino)-acetonitrile
SCHEMBL783512
MLS002206568
CHEMBL1515450
AKOS005146359
Acetonitrile, 2-[(diphenylmethylene)amino]-

MDL Number

MFCD00009970

Customs Code

2926909090

FAQ

What regulatory guidelines apply to [(Diphenylmethylene)amino]acetonitrile (CAS: 70591-20-7)?

The [(Diphenylmethylene)amino]acetonitrile (CAS: 70591-20-7) falls under the hazard categories defined by the Globally Harmonized System of Classification and Labelling of Chemicals (GHS), including flammability and aquatic toxicity. It is regulated under the Registration, Evaluation, Authorisation and Restriction of Chemicals (REACH) legislation in the EU, requiring a safety data sheet (SDS) for its transportation and handling. The U.S. FDA and EPA have specific requirements for its use in pharmaceutical and industrial applications, including environmental risk assessments and reporting under the Toxic Substances Control Act (TSCA).

Are there alternatives to [(Diphenylmethylene)amino]acetonitrile (CAS: 70591-20-7) in synthesis?

There are several alternatives to [(Diphenylmethylene)amino]acetonitrile (CAS: 70591-20-7) in synthesis, including other nitriles like benzonitrile, and aminoacetonitriles such as phenylacetonitrile. These alternatives can offer similar functional groups and reactivity, but with different chemical and physical properties, making them suitable for specific reactions and applications.

What is the market or research trend for [(Diphenylmethylene)amino]acetonitrile (CAS: 70591-20-7)?

The market for [(Diphenylmethylene)amino]acetonitrile (CAS: 70591-20-7) is growing due to its applications in pharmaceuticals, agriculture, and industrial processes. Research trends are focusing on its use in developing novel drugs and pesticides, as well as its environmental impact and safer alternatives. The trend also includes cost reduction and efficiency improvements in its synthesis and waste management processes.

How should waste containing [(Diphenylmethylene)amino]acetonitrile (CAS: 70591-20-7) be handled?

Waste containing [(Diphenylmethylene)amino]acetonitrile (CAS: 70591-20-7) should be collected in appropriate containers, labeled for hazardous waste, and stored in a secure area away from ignition sources. Proper incineration or professional waste disposal services should be utilized to ensure regulatory compliance. Environmental protection precautions include ensuring no leaks or spills occur during handling and storage, and appropriate personal protective equipment (PPE) should be worn. Compliance with local, national, and international regulations is essential.