5-[Bis(4-methylphenyl)methyl]-1H-1,2,4-triazole

Basic Information

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CAS Number

112809-51-5

Molecular Formula

C17H17N3

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

Physical State

White to Yellow Solid

Melting Point

181-183 ºC

Boiling Point

374.4°C at 760 mmHg

Density

1.21

Flash Point

180.3 °C

Solubility

DMSO: >50mg/mL

SMILES

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C1=CC(=CC=C1C#N)C(C2=CC=C(C=C2)C#N)N3C=NC=N3

InChI

InChI=1S/C17H17N3/c1-12-3-7-14(8-4-12)16(17-18-11-19-20-17)15-9-5-13(2)6-10-15/h3-11,16H,1-2H3,(H,18,19,20)

InChIKey

XPSRWTYPPCXWST-UHFFFAOYSA-N

LogP

0.16199999999999998

Topological Polar Surface Area

35.0 Å²

Hydrogen Bond Donor/Acceptor

3 / 1

Complexity

420

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

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

Synonyms & References

English

BIDD:PXR0130
MFCD00866241
EN300-264820
C17H11N5
4,4'-(1h-1,2,4-triazol-1-ylmethylene)bis-benzonitrile
LETROZOLE [MI]
LETROZOLE [ORANGE BOOK]
NSC-719345
NCGC00016973-02
AB00514009-07
Prestwick0_001025
BPBio1_001331
1-[bis(4-cyanophenyl)methyl]-1,2,4-triazole
LETROZOLE (EP IMPURITY)
1-[Bis-(4-cyanophenyl)methyl]-1,2,4-triazole
L0248
4,4'-(1H-1,2,4-Triazol-1-ylmethylene)dibenzonitrile
NCGC00257460-01
LETROZOLE [WHO-DD]
Femera
LETROZOLE [MART.]
4,4'-(1,2,4-Triazol-1-ylmethylene)dibenzonitrile
HMS3715M11
BL164620
BCP9000848
4-[1-(4-CYANOPHENYL)-1-(1,2,4-TRIAZOL-1-YL)METHYL]BENZONITRILE
CCRIS 8822
Prestwick1_001025
4,4 -(1H-1,2,4-triazol-1-ylmethanediyl)dibenzonitrile
AC-1193
CCG-100849

MDL Number

MFCD00866241

Customs Code

2933990090

FAQ

What is 5-[Bis(4-methylphenyl)methyl]-1H-1,2,4-triazole (CAS: 112809-51-5)?

5-[Bis(4-methylphenyl)methyl]-1H-1,2,4-triazole is a synthetic organic compound with the CAS number 112809-51-5. It belongs to the class of triazole derivatives and is characterized by its aromatic structure and potential biological activity. The compound is commonly used in research settings for its chemical versatility and may exhibit antioxidant or antimicrobial properties depending on its application.

What are the main uses of 5-[Bis(4-methylphenyl)methyl]-1H-1,2,4-triazole (CAS: 112809-51-5)?

5-[Bis(4-methylphenyl)methyl]-1H-1,2,4-triazole (CAS: 112809-51-5) is primarily used in pharmaceutical research for developing antifungal and antiviral agents. It also finds applications in organic synthesis as a building block for more complex molecules. In addition, it is used in chemical research for studying molecular interactions and stability.

Is 5-[Bis(4-methylphenyl)methyl]-1H-1,2,4-triazole (CAS: 112809-51-5) safe?

5-[Bis(4-methylphenyl)methyl]-1H-1,2,4-triazole (CAS: 112809-51-5) is generally considered safe when handled properly in controlled environments. However, it should be used with caution, as it may have potential toxicity if ingested or inhaled. Protective equipment such as gloves and goggles is recommended during handling, and it should be stored away from heat and incompatible substances to ensure safety.

How should 5-[Bis(4-methylphenyl)methyl]-1H-1,2,4-triazole (CAS: 112809-51-5) be stored?

5-[Bis(4-methylphenyl)methyl]-1H-1,2,4-triazole (CAS: 112809-51-5) should be stored in a cool, dry, and well-ventilated area, away from light. It is best kept in a sealed container to prevent moisture absorption and contamination. Storage conditions should maintain a temperature below 25°C and low humidity to ensure stability and prolong shelf life.