4,4',4''-(1,3,5-Triazine-2,4,6-triyl)tribenzoic acid

Basic Information

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CAS Number

61414-16-2

Molecular Formula

C24H15N3O6

Molecular Weight

441.4 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

Fine Chemicals Surfactants Anionic Surfactants

Laboratory Chemicals Research Chemicals Biochemical Reagents

Basic Physical Properties

Melting Point

83-88 °C

Boiling Point

799.9°C at 760 mmHg

Density

1.458±0.06 g/cm3 (20 ºC 760 Torr),

Solubility

Insuluble (7.1E-4 g/L) (25 ºC),

SMILES

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O=C(C1=CC=C(C2=NC(C3=CC=C(C(O)=O)C=C3)=NC(C4=CC=C(C(O)=O)C=C4)=N2)C=C1)O

InChI

InChI=1S/C24H15N3O6/c28-22(29)16-7-1-13(2-8-16)19-25-20(14-3-9-17(10-4-14)23(30)31)27-21(26-19)15-5-11-18(12-6-15)24(32)33/h1-12H,(H,28,29)(H,30,31)(H,32,33)

InChIKey

MSFXUHUYNSYIDR-UHFFFAOYSA-N

LogP

3.967200000000001

Topological Polar Surface Area

150.56999999999996 Å²

Hydrogen Bond Donor/Acceptor

3 / 9

Complexity

602

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

Benzoic acid,4,4',4''-(1,3,5-triazine-2,4,6-triyl)tris-
2,4,6-TRIS(4-CARBOXYPHENYL)-1,3,5-TRIAZINE
4,4',4''-(1,3,5-triazine-2,4,6-triyl)tribenzoicacid
4,4′,4″-s-Triazine-2,4,6-triyl-tribenzoic acid
p-Cyanobenzoic Acid Trimer
2,4,6-Tris(4-carboxyphenyl)-s-triazine
4,4′,4″-[1,3,5]Triazine-2,4,6-triyl-tris-benzoic acid
H3TATB
2,4,6-Tris(4-carboxyphenyl)triazine
4,4',4''-s-Triazine-2,4,6-triyltribenzoic acid
4,4',4''-(1,3,5-Triazine-2,4,6-triyl)tribenzoic acid
4-[4,6-bis(4-carboxyphenyl)-1,3,5-triazin-2-yl]benzoic Acid
ML01035
AK388619
2,4,6-Tris(carboxyphenyl)-1,3,5-triazine
T30050
4,4',4''-s-triazine-2,4,6-triyl-tribenzoic acid
4,4',4''-(s-Triaz

MDL Number

MFCD04116314

FAQ

What is 4,4',4''-(1,3,5-Triazine-2,4,6-triyl)tribenzoic acid (CAS: 61414-16-2)?

4,4',4''-(1,3,5-Triazine-2,4,6-triyl)tribenzoic acid, also known as TTB, is a complex organic compound with a triazine core linked to three benzoic acid units. It is characterized by its strong acidic properties and is used in various applications due to its stability and reactivity.

What are the main uses of 4,4',4''-(1,3,5-Triazine-2,4,6-triyl)tribenzoic acid (CAS: 61414-16-2)?

4,4',4''-(1,3,5-Triazine-2,4,6-triyl)tribenzoic acid is primarily used in the synthesis of other organic compounds, as a precursor in chemical reactions, and in the preparation of pharmaceuticals. It also has applications in the dye and pigment industry.

Is 4,4',4''-(1,3,5-Triazine-2,4,6-triyl)tribenzoic acid (CAS: 61414-16-2) safe?

4,4',4''-(1,3,5-Triazine-2,4,6-triyl)tribenzoic acid is generally safe when handled with appropriate precautions. However, it should be used in well-ventilated areas to avoid inhaling dust or aerosols. Direct contact with skin and eyes should be avoided, and appropriate personal protective equipment (PPE) should be worn.

How should 4,4',4''-(1,3,5-Triazine-2,4,6-triyl)tribenzoic acid (CAS: 61414-16-2) be stored?

4,4',4''-(1,3,5-Triazine-2,4,6-triyl)tribenzoic acid 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. Avoid storing in high humidity environments to prevent degradation.