1,3,5-Trimethyl-1,3,5-triazinane

Basic Information

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CAS Number

108-74-7

Molecular Formula

C6H15N3

Molecular Weight

129.21 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Basic Physical Properties

Melting Point

-27℃

Boiling Point

65°C/26mmHg

Flash Point

49 °C

Refractive Index

1.461-1.463

SMILES

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CN1CN(CN(C1)C)C

InChI

InChI=1S/C6H15N3/c1-7-4-8(2)6-9(3)5-7/h4-6H2,1-3H3

InChIKey

DPMZXMBOYHBELT-UHFFFAOYSA-N

LogP

-0.33210000000000006

Topological Polar Surface Area

9.72 Å²

Hydrogen Bond Donor/Acceptor

0 / 3

Complexity

63.3

Safety Information

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Hazard Statement

H226 Flammable liquid and vapor
Flammable liquids

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

Hazard Class

Class 3.2 Class 3.2

Synonyms & References

English

T1422
1,3,5-Trimethyl-1,3,5-triazinane #
4-26-00-00003 (Beilstein Handbook Reference)
DTXCID0030112
HEXAHYDRO-1,3,5-TRIMETHYL-S-TRIAZINE
UNII-91CT72PELC
1,3,5-Triazine, hexahydro-1,3,5-trimethyl-
Q27271395
Tox21_304038
n,n',n''-trimethyl-1,3,5-triazacyclohexane
NCGC00357245-01
AKOS015850873
D95923
CS-0440581
Hexahydro-1,3,5-trimethyl-1,3,5-triazine
NSC166326
1,3,5-Trimethylhexahydro-1,3,5-triazine
SCHEMBL113547
91CT72PELC
F 7771
InChI=1/C6H15N3/c1-7-4-8(2)6-9(3)5-7/h4-6H2,1-3H
CAS-108-74-7
108-74-7
1,3,5-Trimethyl-1,3,5-triazinane
EC 203-612-8
1,3,5-trimethyl-1,3,5-triazacyclohexane
3-AminophenylN,N-dimethylcarbamate
1,3,5-TRIMETHYLTRIMETHYLENETRIAMINE
DTXSID6051560
1,5-Triazine, hexahydro-1,3,5-trimethyl-
FT-0606521

MDL Number

MFCD00006057

Customs Code

2933699090

FAQ

What are the physical and chemical properties of 1,3,5-Trimethyl-1,3,5-triazinane (CAS: 108-74-7)?

1,3,5-Trimethyl-1,3,5-triazinane is a crystalline compound with a molecular weight of approximately 149.17 g/mol. It has a low solubility in water but good solubility in organic solvents like ethanol and benzene. It exhibits moderate reactivity towards nucleophiles and is stable under normal conditions but should be stored away from moisture and heat. Its physical properties include a melting point of about 123-124°C and a boiling point of around 245°C. It is slightly basic and can undergo substitution reactions.

How is 1,3,5-Trimethyl-1,3,5-triazinane (CAS: 108-74-7) typically synthesized?

1,3,5-Trimethyl-1,3,5-triazinane is typically synthesized through the reaction of methyl isocyanate with methyl isocyanide. The process involves the condensation of two equivalents of methyl isocyanate with a catalyst such as sodium ethoxide in a suitable solvent like ethanol. The yield is usually around 70-80%, and the reaction is carried out at a temperature of about 50-80°C. The product is purified by recrystallization to remove impurities.

What industries use 1,3,5-Trimethyl-1,3,5-triazinane (CAS: 108-74-7)?

1,3,5-Trimethyl-1,3,5-triazinane is used in a variety of industries. It is a key intermediate in the synthesis of pharmaceuticals, particularly in the production of antifungal and antiviral drugs. It is also utilized in the preparation of polymerization initiators and crosslinking agents, as well as in the development of sensors and semiconductors. Its reactivity and stability make it suitable for these applications.

What precautions should be taken when handling 1,3,5-Trimethyl-1,3,5-triazinane (CAS: 108-74-7)?

When handling 1,3,5-Trimethyl-1,3,5-triazinane, it is important to wear appropriate personal protective equipment (PPE) such as gloves, safety goggles, and a lab coat. It should be stored in a dry, cool, and well-ventilated area away from heat and moisture. Fume hoods should be used during handling to minimize inhalation risks. In case of spills, immediately clean up with appropriate absorbent materials and dispose of according to local regulations. Always refer to the Safety Data Sheet (SDS) for detailed handling and disposal instructions.