1-benzyl-5-methyl-1H-1,2,3-triazole-4-carboxylic acid (CAS 54698-60-1) — formula C11H11N3O2, molecular weight 217.22; category organic chemicals.
| CAS Number | 54698-60-1 |
|---|---|
| Molecular Formula | C11H11N3O2 |
| Molecular Weight | 217.22 |
| LogP | 1.5 |
| Category | Organic Chemicals |
1-benzyl-5-methyl-1H-1,2,3-triazole-4-carboxylic acid is a carbon-based organic compound with CAS registry number 54698-60-1 and molecular formula C11H11N3O2 (molecular weight 217.22), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 54698-60-1
Its molecular formula C11H11N3O2 comprises 11 C, 11 H, 3 N, 2 O atoms.
Also known as: 1-benzyl-5-methyl-1H-1,2,3-triazole-4-carboxylic acid · 1-苄基-5-甲基-1H-1,2,3-三唑-4-甲酸
Category: organic chemicals
The CAS registry number of 1-benzyl-5-methyl-1H-1,2,3-triazole-4-carboxylic acid is 54698-60-1.
Molecular formula C11H11N3O2, molecular weight 217.22.
It is also registered under: 1-benzyl-5-methyl-1H-1,2,3-triazole-4-carboxylic acid, 1-苄基-5-甲基-1H-1,2,3-三唑-4-甲酸.
Category: Organic Chemicals.
Independent reference data for 1-benzyl-5-methyl-1H-1,2,3-triazole-4-carboxylic acid (CAS 54698-60-1), compiled from public chemistry databases.
| CAS Registry Number | 54698-60-1 |
|---|---|
| PubChem CID | 2794831 |
| Molecular formula | C11H11N3O2 |
| IUPAC name | 1-benzyl-5-methyltriazole-4-carboxylic acid |
| UNII (FDA) | ST50949640 |
| Molecular Weight | 217.22 |
|---|---|
| XLogP3 | 1.5 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 3 |
| Exact Mass | 217.085126602 |
| Monoisotopic Mass | 217.085126602 |
| Topological Polar Surface Area | 68 |
| Heavy Atom Count | 16 |
54698-60-1; 1-Benzyl-5-methyl-1H-1,2,3-triazole-4-carboxylic acid; DTXSID70383453; RefChem:228118; DTXCID40334477; 1-Benzyl-5-methyl-1H-[1,2,3]triazole-4-carboxylic Acid; 1-benzyl-5-methyltriazole-4-carboxylic acid; MFCD06411557; 1H-1,2,3-Triazole-4-carboxylic acid, 5-methyl-1-(phenylmethyl)-; 5-methyl-1-benzyl-1,2,3-triazole-4-carboxylic acid; 1-benzyl-5-methyl-triazole-4-carboxylic Acid; SCHEMBL795210; WIULYDQJIFTHIK-UHFFFAOYSA-N; ALBB-013896; SBB053301; AKOS004123005
| Reported hazard statements | H302 (100%) |
|---|
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)
1-benzyl-5-methyl-1H-1,2,3-triazole-4-carboxylic acid · CAS 54698-60-1 · C11H11N3O2. UNII ST50949640.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.