4-Methyl-2-(1-(2-methylallyl)-1H-benzo[d][1,2,3]triazol-2(3H)-yl)phenol

Basic Information

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CAS Number

98809-58-6

Molecular Formula

C17H17N3O

Molecular Weight

279.34 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Fine Chemicals Dyes and Pigments Organic Dyes

Basic Physical Properties

Boiling Point

460.1±55.0 °C(Predicted)

Density

1.18±0.1 g/cm3(Predicted)

SMILES

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CC1=CC(=C(C=C1)O)N2NC3=CC=CC=C3N2CC(=C)C

InChI

InChI=1S/C17H17N3O/c1-11(2)8-13-9-12(3)10-16(17(13)21)20-18-14-6-4-5-7-15(14)19-20/h4-7,9-10,21H,1,8H2,2-3H3

InChIKey

HLTVXJZFIFRXDB-UHFFFAOYSA-N

LogP

3.5531200000000016

pKa

8.19±0.50(Predicted)

Topological Polar Surface Area

50.94 Å²

Hydrogen Bond Donor/Acceptor

1 / 4

Complexity

386

Synonyms & References

English

1-METHALLYL-2-(2-HYDROXY-5-METHYL PHENYL) BENZOTRIAZOLE
3-METHALLYL-2-HYDROXY-5-METHYLPHENYLBENZOTRIAZOLE
3-METHALLYL-2-HYDROXY-5-METHYLPHENYL
4-methyl-6-(2-methyl-2-propenyl)-
Phenol, 2-(2H-benzotriazol-2-yl)-
Drometrizole Trisiloxane Related Compound B (25 mg) (2-(2H-Benzotriazol-2-yl)-6-(isobuten-3-yl)-p-cresol)
4-Methyl-2-(1-(2-Methylallyl)-1H-benzo[d][1,2,3]triazol-2(3H)-yl)phenol
2-(2'-Hydroxy-3'-Methallyl-5'-MethylPhenyl)-benzotriazole
4-Methyl-2-(1-(2-methylallyl)-1H-benzo[d][1,2,3]triazol-2(3H)-yl)phenol
2-(2H-Benzotriazol-2-yl)-4-methyl-6-(2-methyl-2-propen-1-yl)phenol
2-(2H-1,2,3-benzotriazol-2-yl)-4-methyl-6-(2-methylprop-2-enyl)phenol
4-methyl-2-[3-(2-methylprop-2-enyl)-1H-benzotriazol-2-yl]phenol
Phenol,2-(2H-benzotriazol-2-yl)-4-methyl-6-(2-methyl-2-propen-1-yl)-
2-(2H-Benzotriazol-2-yl)-6-(isobuten-3-yl)-p-cresol
YDA80958
4-METHYL-2-[1-(2-METHYLPROP-2-EN-1-YL)-3H-1,2,3-BENZOTRIAZOL-2-YL]PHENOL
98809-58-6
SCHEMBL3181799
4-methyl-2-[1-(2-methylprop-2-en-1-yl)-2,3-dihydro-1H-1,2,3-benzotriazol-2-yl]phenol
1-Methallyl-2-(2-hydroxy-5-Methyl phenyl)benzotriazole
1-methallyl-2-(2'-hydroxyl-5'-methylphenyl) benzotriazole
DB-049936
1986914-71-9

MDL Number

MFCD07780149

Customs Code

2933997500

FAQ

What is 4-Methyl-2-(1-(2-methylallyl)-1H-benzo[d][1,2,3]triazol-2(3H)-yl)phenol (CAS: 98809-58-6)?

4-Methyl-2-(1-(2-methylallyl)-1H-benzo[d][1,2,3]triazol-2(3H)-yl)phenol is a complex organic compound with a molecular structure that includes a phenolic group, a methyl group, and a benzo[d][1,2,3]triazole moiety. This compound is insoluble in water but soluble in organic solvents. It is primarily used in pharmaceuticals for its anti-inflammatory and antioxidant properties.

What are the main uses of 4-Methyl-2-(1-(2-methylallyl)-1H-benzo[d][1,2,3]triazol-2(3H)-yl)phenol (CAS: 98809-58-6)?

4-Methyl-2-(1-(2-methylallyl)-1H-benzo[d][1,2,3]triazol-2(3H)-yl)phenol is predominantly used in the pharmaceutical industry as an intermediate for the synthesis of drugs with anti-inflammatory and antioxidant properties. It is also utilized in research for studying these properties.

Is 4-Methyl-2-(1-(2-methylallyl)-1H-benzo[d][1,2,3]triazol-2(3H)-yl)phenol (CAS: 98809-58-6) safe?

4-Methyl-2-(1-(2-methylallyl)-1H-benzo[d][1,2,3]triazol-2(3H)-yl)phenol is generally considered safe for use in the pharmaceutical industry when handled according to safety guidelines. However, it is important to follow appropriate safety precautions, including wearing protective clothing and ensuring proper ventilation. Exposure to this compound should be minimized and skin contact avoided.

How should 4-Methyl-2-(1-(2-methylallyl)-1H-benzo[d][1,2,3]triazol-2(3H)-yl)phenol (CAS: 98809-58-6) be stored?

4-Methyl-2-(1-(2-methylallyl)-1H-benzo[d][1,2,3]triazol-2(3H)-yl)phenol should be stored in a cool, dry place away from direct sunlight. It is best kept in a tightly sealed container to prevent moisture absorption and degradation. Storage temperatures should be maintained between 15-25°C to ensure stability and prevent the compound from undergoing unwanted chemical reactions.