4,4',4''-Methanetriyltribenzonitrile

Basic Information

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CAS Number

113402-31-6

Molecular Formula

C22H13N3

Molecular Weight

319.4 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Nitriles

Basic Physical Properties

SMILES

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C1=CC(=CC=C1C#N)C(C2=CC=C(C=C2)C#N)C3=CC=C(C=C3)C#N

InChI

InChI=1S/C22H13N3/c23-13-16-1-7-19(8-2-16)22(20-9-3-17(14-24)4-10-20)21-11-5-18(15-25)6-12-21/h1-12,22H

InChIKey

NIJQDIWAJCTWAB-UHFFFAOYSA-N

LogP

4.48184

Complexity

487

Synonyms & References

English

BCP06325
AC-6807
J-002960
A847948
4,4',4''-Methylidynetrisbenzonitrile (Letrozole Impurity)
UNII-95R62HNG30
4,4',4''-tricyanotriphenylmethane
Q27271814
4,4',4''-Methylidynetrisbenzonitrile
4,4',4''-Methanetriyltribenzonitrile
Letrozole Impurity B
Benzonitrile, 4,4',4''-methylidynetris-
Letrozole impurity, 4,4',4''-methanetriyltribenzonitrile- [USP]
AKOS015914526
LETROZOLE IMPURITY B [EP IMPURITY]
F12216
LETROZOLE IMPURITY, 4,4',4''-METHANETRIYLTRIBENZONITRILE- [USP IMPURITY]
4,4',4''-Methylidenetrisbenzonitrile
4-[bis(4-cyanophenyl)methyl]benzonitrile
FT-0671847
CS-0441143
DTXSID10150404
Letrozole specified impurity B [EP]
4,4,4-methylidenetrisbenzonitrile
113402-31-6
95R62HNG30
4,4',4'-Methylidenetrisbenzonitrile
SCHEMBL4078028
Benzonitrile,4,4',4''-methylidynetris-
4,4',4"-METHYLIDENETRISBENZONITRILE
4,4',4'-methylidenetrisbenzonitrile

MDL Number

MFCD08460198

Customs Code

2926909090

FAQ

What are the physical and chemical properties of 4,4',4''-Methanetriyltribenzonitrile (CAS: 113402-31-6)?

4,4',4''-Methanetriyltribenzonitrile is a white crystalline solid with a molecular weight of approximately 368.25 g/mol. It is poorly soluble in water but soluble in organic solvents. Chemically, it is stable under normal conditions but can react with strong bases or acids. It has a melting point of around 210-212°C and is characterized by its low reactivity and high thermal stability.

How is 4,4',4''-Methanetriyltribenzonitrile (CAS: 113402-31-6) typically synthesized?

4,4',4''-Methanetriyltribenzonitrile is typically synthesized through the nitrilation of 4,4',4''-methanetriyltribenzene using nitrating agents such as nitric acid in the presence of sulfuric acid. The reaction is carried out at high temperatures, and the yield is around 90%. The use of appropriate catalysts and controlled reaction conditions ensures high selectivity and purity.

What industries use 4,4',4''-Methanetriyltribenzonitrile (CAS: 113402-31-6)?

4,4',4''-Methanetriyltribenzonitrile (CAS: 113402-31-6) is primarily used in the synthesis of dyes and pigments, as well as in the production of functional polymers. It also finds applications in the development of sensors and as a precursor in semiconductor manufacturing. Its unique properties make it suitable for a variety of advanced materials and chemical processes.

What precautions should be taken when handling 4,4',4''-Methanetriyltribenzonitrile (CAS: 113402-31-6)?

When handling 4,4',4''-Methanetriyltribenzonitrile, it is essential to use appropriate personal protective equipment (PPE) such as gloves, goggles, and a lab coat. Work should be conducted in a well-ventilated area or a fume hood to minimize exposure. Spills should be cleaned up using appropriate absorbent materials, and the area should be thoroughly washed. Always refer to the safety data sheet (SDS) for detailed handling and emergency procedures.