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LA 32

CAS: 2440-22-4 | C13H11N3O

2D Structure

3D Structure

Loading 3D structure...

Basic Information

CAS Registry Number: 2440-22-4
Molecular Formula: C13H11N3O
Molecular Weight: 225.25100000000003 g/mol

Names and Synonyms:

LA 32
Drometrizole
Uvinul 3033P
Phenol, 2-(2H-benzotriazol-2-yl)-4-methyl-
p-Cresol, 2-(2H-benzotriazol-2-yl)-
2-(2H-Benzotriazol-2-yl)-4-methylphenol
2-(2-Hydroxy-5-methylphenyl)benzotriazole
Tinuvin P
2-(2′-Hydroxy-5′-methylphenyl)benzotriazole
Benazol P
2-(2-Hydroxy-5-methylphenyl)-2H-benzotriazole
UV Absorber 1
2-(2H-Benzotriazol-2-yl)-p-cresol
Drometrizole
Seikalizer AZ
Benazol II
Sumisorb 200
Mark LA 32
2-Benzotriazol-2-yl-4-methylphenol
2-(5-Methyl-2-hydroxyphenyl)benzotriazole
Viosorb 520
UVA-P
ADK Stab LA 32
Seesorb 701
JF 77
ADK-ARKLS DN 13
2-(5′-Methyl-2′-hydroxyphenyl)benzotriazole
NSC 91885
Uvasorb SV
Lowilite 55
Eversorb 71
JF 77P
BT 1 (light stabilizer)
BT 1
UV-P
Kemisorb 71
UV-P (UV stabilizer)
Dainsorb T 1
JF 77T
2-(2-Hydroxy-5-methyl)benzotriazole
JCK-W-UA
4-Methyl-2-(2H-benzotriazol-2-yl)phenol
Tinuvin UV-P
Solartex UVP
Chisorb P
Tinuvin PED
UV 71
Songsorb 1000
2-(2H-Benzo[d][1,2,3]triazol-2-yl)-4-methylphenol

Identifiers:

SMILES:
Cc1ccc(O)c(-n2nc3ccccc3n2)c1
InChI:
InChI=1S/C13H11N3O/c1-9-6-7-13(17)12(8-9)16-14-10-4-2-3-5-11(10)15-16/h2-8,17H,1H3

Spectral Data

NMR, IR, and Mass spectral data

1H NMR
13C NMR
Predicting NMR spectra...
10 ppm 9 8 7 6 5 4 3 2 1 0 ppm
Shift (ppm) Multiplicity Integration Assignment
200 ppm 180 160 140 120 100 80 60 40 20 0 ppm
Shift (ppm) DEPT Assignment

Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.

External Resources

All Properties

Comprehensive physical and chemical properties

Molecular

Property Value Source
Molecular Weight 225.25100000000003 g/mol RDKit

Exact

Property Value Source
Exact Molecular Weight 225.090211972 g/mol RDKit

Heavy

Property Value Source
Heavy Atom Count 17 count RDKit

Hydrogen

Property Value Source
Hydrogen Bond Acceptors 4 count RDKit
Hydrogen Bond Donors 1 count RDKit

Rotatable

Property Value Source
Rotatable Bonds 1 count RDKit

Aromatic

Property Value Source
Aromatic Ring Count 3 count RDKit

Topological

Property Value Source
Topological Polar Surface Area 50.94 Ų RDKit

Physical Properties

Property Value Source
LogP 2.43452 RDKit
molecular_mass 225.25 g/mol Legacy Database
cas-boiling-point 225 °C @ Press: 10 Torr None Legacy Database
cas-canonical-smile OC1=CC=C(C=C1N2N=C3C=CC=CC3=N2)C None Legacy Database
cas-inchi InChI=1S/C13H11N3O/c1-9-6-7-13(17)12(8-9)16-14-10-4-2-3-5-11(10)15-16/h2-8,17H,1H3 None Legacy Database
cas-inchi-key InChIKey=MCPKSFINULVDNX-UHFFFAOYSA-N None Legacy Database
cas-melting-point 131-133 °C None Legacy Database
cas-name Drometrizole None Legacy Database

Molar

Property Value Source
Molar Refractivity 65.26680000000002 RDKit

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