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Methylbenzotriazole · CAS 29878-31-7 · C7H7N3. UNII QKK8999IZA. Collision Cross Section: 126.79 Ų [M+H]+; Collision Cross Section: 123.7 Ų [M-H]-.
| CAS Registry Number | 29878-31-7 |
|---|---|
| PubChem CID | 122499 |
| Molecular formula | C7H7N3 |
| IUPAC name | 4-methyl-2H-benzotriazole |
| UNII (FDA) | QKK8999IZA |
| Molecular Weight | 133.15 |
|---|---|
| XLogP3 | 1.4 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 0 |
| Exact Mass | 133.063997236 |
| Monoisotopic Mass | 133.063997236 |
| Topological Polar Surface Area | 41.6 |
| Heavy Atom Count | 10 |
| Formal Charge | 0 |
| Collision Cross Section | 126.79 Ų [M+H]+ |
|---|---|
| Collision Cross Section | 123.7 Ų [M-H]- |
| GHS notification summary | 46.8% (37 / 79) |
|---|
| GHS notification summary | 46.8% (37 / 79) |
|---|---|
| Reported hazard statements | H302 (53.2%), H319 (51.9%), H332 (51.9%), H412 (51.9%) |
This chemical does not meet GHS hazard criteria for 46.8% (37 of 79) of reports.
H302 (53.2%): Harmful if swallowed [Warning Acute toxicity, oral]
29878-31-7; 4-Methyl-1H-benzotriazole; 4-METHYLBENZOTRIAZOLE; 4-Tolyltriazole; 1H-Benzotriazole, 4-methyl-; 4-methyl-1,2,3-benzotriazole; QKK8999IZA; DTXSID50274037; 1H-BENZOTRIAZOLE, 7-METHYL-; RefChem:53342; 249-921-1; 4-Methyl-1H-benzo[d][1,2,3]triazole; 4-methyl-1H-1,2,3-benzotriazole; 4-methyl-2H-benzotriazole; Methylbenzotriazole; 7-Methyl-1H-benzotriazole
CAS 29878-31-7; molecular formula C7H7N3; molecular weight — g/mol.
29878-31-7, 4-Methyl-1H-benzotriazole, 4-METHYLBENZOTRIAZOLE, 4-Tolyltriazole, 1H-Benzotriazole, 4-methyl-, 4-methyl-1,2,3-benzotriazole.
46.8% of GHS notifications report no hazard classification (37 of 79).
Collision Cross Section: 126.79 Ų [M+H]+; Collision Cross Section: 123.7 Ų [M-H]-.
Facts on this page are taken from PubChem (US National Library of Medicine) and Wikidata. Grade-specific data — assay, moisture, particle size, packaging, shelf life — is issued per batch on the COA and is not published here.