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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.
All Properties
Comprehensive physical and chemical properties
Physical Properties
| Property | Value | Source |
|---|---|---|
| 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 |
| LogP | 2.43452 | RDKit |
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 |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 65.26680000000002 | RDKit |
