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4-(1H-1,2,4-Triazol-5-yl)benzoic acid hydrate
结构式
基本信息
| Empirical Formula【经验(实验)分子式】 | C9H9N3O3 |
| Molecular weight | 207.19 |
| MDL number | MFCD18428088 |
| PubChem Substance ID【PubChem化学物质编号】 | 329776260 |
| Analysis Note【分析说明】 | may contain up to 1.5 eq water |
| Other Notes【其他说明】 | Please note that sigma-aldrich provides this product to early discovery researchers as part of a collection of unique chemicals. sigma-aldrich does not collect analytical data for this product. Buyer assumes responsibility to confirm product identity and/or purity. All sales are final. NOTWITHSTANDING ANY CONTRARY PROVISION CONTAINED IN SIGMA-ALDRICH′S STANDARD TERMS AND CONDITIONS OF SALE OR AN AGREEMENT BETWEEN SIGMA-ALDRICH AND BUYER, SIGMA-ALDRICH SELLS THIS PRODUCT "AS-IS" AND MAKES NO REPRESENTATION OR WARRANTY WHATSOEVER WITH RESPECT TO THIS PRODUCT, INCLUDING ANY (A) WARRANTY OF MERCHANTABILITY; (B) WARRANTY OF FITNESS FOR A PARTICULAR PURPOSE; OR (C) WARRANTY AGAINST INFRINGEMENT OF INTELLECTUAL PROPERTY RIGHTS OF A THIRD PARTY; WHETHER ARISING BY LAW, COURSE OF DEALING, COURSE OF PERFORMANCE, USAGE OF TRADE OR OTHERWISE. |
| Legal Information【法律信息】 | Product of ChemBridge Corp. |
产品性质
| SMILES string | O.OC(=O)c1ccc(cc1)-c2ncn[nH]2 |
| InChI | 1S/C9H7N3O2.H2O/c13-9(14)7-3-1-6(2-4-7)8-10-5-11-12-8;/h1-5H,(H,13,14)(H,10,11,12);1H2 |
| InChI key | ZENYHDSETXEWTM-UHFFFAOYSA-N |
安全信息
| Pictograms【象形图】 | GHS07 |
| Signal word【警示用语：】 | Warning |
| Hazard Statements | H319 |
| Precautionary Statements | P305 + P351 + P338 |
| Hazard Classifications【危险分类】 | Eye Irrit. 2 |
| Storage Class Code【储存分类代码】 | 6.1D - Non-combustible, acute toxic Cat.3 / toxic hazardous materials or hazardous materials causing chronic effects |
| WGK | WGK 3 |
