1,3,5-Tribenzyl-1,3,5-triazinane

Basic Information

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CAS Number

2547-66-2

Molecular Formula

C24H27N3

Molecular Weight

357.5 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Basic Physical Properties

Melting Point

49-51 °C

Boiling Point

100 °C/0.005 mmHg

Refractive Index

1.6270 (estimate)

SMILES

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C1N(CN(CN1CC2=CC=CC=C2)CC3=CC=CC=C3)CC4=CC=CC=C4

InChI

InChI=1S/C24H27N3/c1-4-10-22(11-5-1)16-25-19-26(17-23-12-6-2-7-13-23)21-27(20-25)18-24-14-8-3-9-15-24/h1-15H,16-21H2

InChIKey

VWVZIRPJPFJGFE-UHFFFAOYSA-N

LogP

4.379100000000004

Topological Polar Surface Area

9.72 Å²

Hydrogen Bond Donor/Acceptor

0 / 3

Complexity

334

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

SY066672
1,3,5-Tribenzylhexahydro-S-triazine
1,3,5-Tribenzylhexahydro-1,3,5-triazine, 98%
UNII-NB44XJH3W2
C24H27N3
NSC-169717
EINECS 219-831-7
AKOS005458915
NSC169717
NSC 169717
1,3,5-tribenzyl-1,3,5-triazinane
MFCD00014599
J-016010
VWVZIRPJPFJGFE-UHFFFAOYSA-N
A853632
FT-0742183
2547-66-2
NS00027898
1,3,5-Tribenzylhexahydro-1,3,5-triazine
SCHEMBL1639911
1,3,5-tribenzyl-[1,3,5]triazinane
DS-4554
D70966
Hexahydro-1,3,5-tris(phenylmethyl)-1,3,5-triazine
DTXSID80180157
1,3,5-Triazine, hexahydro-1,3,5-tris(phenylmethyl)-
AM10017
CS-0156276
NB44XJH3W2
1,3,5-Tribenzyl-1,3,5-triazinane
1,3,5-(N-benzyl)-1,3,5-hexahydrotriazine

MDL Number

MFCD00014599

Customs Code

2933699090

FAQ

What is 1,3,5-Tribenzyl-1,3,5-triazinane (CAS: 2547-66-2)?

1,3,5-Tribenzyl-1,3,5-triazinane is a triazole derivative with the chemical formula C21H16N4. It is a colorless or white solid at room temperature, with a molecular weight of approximately 336.37. This compound is mainly used in pharmaceuticals and as a stabilizer in organic synthesis.

What are the main uses of 1,3,5-Tribenzyl-1,3,5-triazinane (CAS: 2547-66-2)?

1,3,5-Tribenzyl-1,3,5-triazinane is primarily used in the pharmaceutical industry as a precursor for the synthesis of various drugs. It also serves as a stabilizer in organic synthesis, enhancing the stability of other compounds during chemical reactions.

Is 1,3,5-Tribenzyl-1,3,5-triazinane (CAS: 2547-66-2) safe?

1,3,5-Tribenzyl-1,3,5-triazinane is generally considered safe when handled under proper protective measures. However, it is important to follow safety guidelines, including wearing appropriate personal protective equipment (PPE) such as gloves and goggles, and ensuring adequate ventilation during handling. Ingestion, inhalation, or skin contact with the compound should be avoided.

How should 1,3,5-Tribenzyl-1,3,5-triazinane (CAS: 2547-66-2) be stored?

1,3,5-Tribenzyl-1,3,5-triazinane should be stored in a cool, dry place away from direct sunlight and heat sources. It should be kept in a tightly sealed container to prevent exposure to moisture and air. The storage area should be well-ventilated and accessible only to authorized personnel. It is also advisable to store it away from incompatible substances such as acids and oxidizers.