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4-((4-Bromo-3,5-dimethyl-1H-pyrazol-1-yl)methyl)benzoic acid
结构式
基本信息
Empirical Formula【经验(实验)分子式】 | C13H13BrN2O2 |
Molecular weight | 309.16 |
MDL number | MFCD01858029 |
PubChem Substance ID【PubChem化学物质编号】 | 329816283 |
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. |
产品性质
SMILES string | BrC1=C(C)N(CC2=CC=C(C=C2)C(O)=O)N=C1C |
InChI | 1S/C13H13BrN2O2/c1-8-12(14)9(2)16(15-8)7-10-3-5-11(6-4-10)13(17)18/h3-6H,7H2,1-2H3,(H,17,18) |
InChI key | RRGZDXPJSNTEEO-UHFFFAOYSA-N |
安全信息
Pictograms【象形图】 | GHS07 |
Signal word【警示用语:】 | Warning |
Hazard Statements | H302 - H319 |
Precautionary Statements | P305 + P351 + P338 |
Hazard Classifications【危险分类】 | Acute Tox. 4 Oral - Eye Irrit. 2 |
Storage Class Code【储存分类代码】 | 13 - Non Combustible Solids |
WGK | WGK 3 |