4-Phenyl-1,2,4-triazolidine-3,5-dione

Basic Information

View in Editor

CAS Number

15988-11-1

Molecular Formula

C8H7N3O2

Molecular Weight

177.16 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Fine Chemicals Dyes and Pigments Organic Dyes

Basic Physical Properties

Melting Point

207.0 to 211.0 deg-C

Boiling Point

413°C at 760 mmHg

Refractive Index

1.6500 (estimate)

SMILES

View in Editor

C1=CC=C(C=C1)N2C(=O)NNC2=O

InChI

InChI=1S/C8H7N3O2/c12-7-9-10-8(13)11(7)6-4-2-1-3-5-6/h1-5H,(H,9,12)(H,10,13)

InChIKey

GOSUFRDROXZXLN-UHFFFAOYSA-N

LogP

-0.14610000000000056

Topological Polar Surface Area

70.65 Å²

Hydrogen Bond Donor/Acceptor

2 / 5

Complexity

220

Safety Information

View Safety Information

Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

H332 Harmful if inhaled
Acute toxicity, inhalation

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

Synonyms & References

English

4-Phenylurazole, 98%
SY019481
CS-W017372
NSC-93432
Bicarbamimide, N-phenyl-
CHEMBL224287
GOSUFRDROXZXLN-UHFFFAOYSA-
J-800150
EINECS 240-127-0
4-Phenylurazol
MFCD00005226
FT-0619416
NCIOpen2_001359
DTXSID5065988
HMS2732F12
9V4N9J1BIH
UNII-9V4N9J1BIH
EN300-216584
4-Phenyl-1,2,4-triazolidine-3,5-dione
4-Phenylurazole
BDBM7832
4-phenyl-[1,2,4]triazolidine-3,5-dione
Triazolidinedione Derivative 31
NS00025206
4-Phenyl-1,2,4-triazolidine-3,5-dione #
InChI=1/C8H7N3O2/c12-7-9-10-8(13)11(7)6-4-2-1-3-5-6/h1-5H,(H,9,12)(H,10,13)
NSC 93432
DS-2482
1,4-Triazolidine-3,5-dione, 4-phenyl-
7W-0875
15988-11-1

MDL Number

MFCD00005226

Customs Code

29339990

FAQ

What are the physical and chemical properties of 4-Phenyl-1,2,4-triazolidine-3,5-dione (CAS: 15988-11-1)?

4-Phenyl-1,2,4-triazolidine-3,5-dione is a solid with a crystalline form. Its molecular weight is approximately 170.23 g/mol. It has a low solubility in water (0.003 g/100 mL at 25°C) but good solubility in organic solvents like methanol and acetonitrile. Chemically, it is relatively stable but can react under strong acidic or basic conditions. It is used in various applications due to its structural properties.

How is 4-Phenyl-1,2,4-triazolidine-3,5-dione (CAS: 15988-11-1) typically synthesized?

4-Phenyl-1,2,4-triazolidine-3,5-dione is typically synthesized via the reaction of phenylhydrazine and 1,2-diazolidinedione. This involves the condensation of phenylhydrazine with 1,2-diazolidinedione followed by heating to drive off the water. The reaction is conducted at elevated temperatures and often uses a solvent like ethanol. The product is isolated by recrystallization from suitable solvents.

What industries use 4-Phenyl-1,2,4-triazolidine-3,5-dione (CAS: 15988-11-1)?

4-Phenyl-1,2,4-triazolidine-3,5-dione is used in various industries. It is a key intermediate in the synthesis of pharmaceuticals, particularly as a precursor in the production of bioactive compounds. It is also used in the polymer industry for the modification of polymers and in the development of sensors for detecting specific chemical species. Its functional groups make it useful in semiconductor applications as well.

What precautions should be taken when handling 4-Phenyl-1,2,4-triazolidine-3,5-dione (CAS: 15988-11-1)?

When handling 4-Phenyl-1,2,4-triazolidine-3,5-dione, it is important to wear appropriate personal protective equipment (PPE) such as gloves, safety goggles, and a lab coat. It should be handled in a well-ventilated area or with the use of a fume hood to avoid inhalation of dust or vapors. Spills should be handled with caution and cleaned up using appropriate absorbents. Always refer to the Material Safety Data Sheet (MSDS) for detailed safety guidelines.