1-(Diphenylmethyl)-3-azetidinecarbonitrile

Basic Information

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CAS Number

36476-86-5

Molecular Formula

C17H16N2

Molecular Weight

17.03 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Nitriles

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Basic Physical Properties

Melting Point

153-156 ºC

Boiling Point

384.3 ℃ at 760 mmHg

Density

1.15

Flash Point

384.3 °C at 760 mmHg

Refractive Index

1.628

SMILES

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C1C(CN1C(C2=CC=CC=C2)C3=CC=CC=C3)C#N

InChI

InChI=1S/C17H16N2/c18-11-14-12-19(13-14)17(15-7-3-1-4-8-15)16-9-5-2-6-10-16/h1-10,14,17H,12-13H2

InChIKey

IXMOEAHDRKNAAG-UHFFFAOYSA-N

LogP

0.16199999999999998

Topological Polar Surface Area

35.0 Å²

Hydrogen Bond Donor/Acceptor

3 / 1

Complexity

306

Safety Information

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Hazard Class

Class 6.1 Class 6.1

Stability

Good

Synonyms & References

English

AB2633
A6305
1-benzhydrylazetidine-3-carbonitrile
1-DIPHENYLMETHYL-3-CYANOAZETIDINE
SCHEMBL570352
BCP26320
1-BENZHYDRYL-3-AZETIDINECARBONITRILE
Oprea1_676390
SY014470
1-(Diphenylmethyl)-3-azetidinecarbonitrile
1-(1,1-DIPHENYLMETHYL)AZETIDINE-3-CARBONITRILE
MS-3712
SMR000337630
AM20040286
HMS555P04
1-diphenylmethylazetidin-3-carbonitrile
Maybridge1_005086
CHEMBL1388076
PB20920
CS-0001915
Q-103140
3-Cyano-1-(Diphenylmethyl)azetidine
MFCD00158910
1-benzhydryl-3-azetanecarbonitrile
1-Benzhydrylazetane-3-carbonitrile
1-benzhydryl-3-cyanoazetidine
IXMOEAHDRKNAAG-UHFFFAOYSA-N
AC-2256
1-(diphenylmethyl)azetidine-3-carbonitrile
HMS2600D05
DTXSID50381371

MDL Number

MFCD00158910

Customs Code

2933990090

FAQ

What regulatory guidelines apply to 1-(Diphenylmethyl)-3-azetidinecarbonitrile (CAS: 36476-86-5)?

1-(Diphenylmethyl)-3-azetidinecarbonitrile (CAS: 36476-86-5) is subject to regulatory guidelines under various frameworks including the Globally Harmonized System of Classification and Labelling of Chemicals (GHS), Registration, Evaluation, Authorisation and Restriction of Chemicals (REACH) in Europe, and the Toxic Substances Control Act (TSCA) in the United States. Specific requirements include hazard communication, risk assessment, and reporting of spills or releases to environmental agencies like the EPA.

Are there alternatives to 1-(Diphenylmethyl)-3-azetidinecarbonitrile (CAS: 36476-86-5) in synthesis?

Alternatives to 1-(Diphenylmethyl)-3-azetidinecarbonitrile (CAS: 36476-86-5) in synthesis include similar azetidine derivatives with different substituents, such as 1-(Phenylmethyl)-3-azetidinecarbonitrile or 1-(Tolylmethyl)-3-azetidinecarbonitrile. These alternatives can serve as viable substitutes depending on the specific reaction conditions and desired properties.

What is the market or research trend for 1-(Diphenylmethyl)-3-azetidinecarbonitrile (CAS: 36476-86-5)?

The market and research trends for 1-(Diphenylmethyl)-3-azetidinecarbonitrile (CAS: 36476-86-5) are focused on its use in pharmaceuticals and agrochemicals due to its structural complexity and potential bioactivity. Recent studies explore its role in drug discovery and development, while market trends reflect increasing demand in specialty chemical applications.

How should waste containing 1-(Diphenylmethyl)-3-azetidinecarbonitrile (CAS: 36476-86-5) be handled?

Waste containing 1-(Diphenylmethyl)-3-azetidinecarbonitrile (CAS: 36476-86-5) should be collected in appropriate containers and stored separately to prevent contamination. Proper waste disposal should adhere to local regulations, typically involving incineration or professional chemical waste treatment facilities. Environmental protection measures include minimizing exposure to air and water during disposal to ensure compliance with environmental protection laws.