1344045-71-1
中文名称
JR-13588, 1-(4-Chlorobenzyl)-5-methyl-1H-pyrazole-4-carboxylic acid, 97%
英文名称
JR-13588, 1-(4-Chlorobenzyl)-5-methyl-1H-pyrazole-4-carboxylic acid, 97%
CAS
1344045-71-1
分子式
C12H11ClN2O2
分子量
250.68
MOL 文件
1344045-71-1.mol
结构式
基本信息
中文别名
英文别名
1-(4-Chlorobenzyl)-5-methyl-1H-pyrazole-4-carboxylic acid
1H-Pyrazole-4-carboxylic acid, 1-[(4-chlorophenyl)methyl]-5-methyl-
JR-13588, 1-(4-Chlorobenzyl)-5-methyl-1H-pyrazole-4-carboxylic acid, 97%
1H-Pyrazole-4-carboxylic acid, 1-[(4-chlorophenyl)methyl]-5-methyl-
JR-13588, 1-(4-Chlorobenzyl)-5-methyl-1H-pyrazole-4-carboxylic acid, 97%
物理化学性质
| 沸点 | 449.6±40.0 °C(Predicted) |
| 密度 | 1.33±0.1 g/cm3(Predicted) |
| 酸度系数(pKa) | 3.44±0.25(Predicted) |
| 形态 | solid |
| InChI | 1S/C12H11ClN2O2/c1-8-11(12(16)17)6-14-15(8)7-9-2-4-10(13)5-3-9/h2-6H,7H2,1H3,(H,16,17) |
| InChIKey | NKCWVLXZLXGXCU-UHFFFAOYSA-N |
| SMILES | CC1=C(C(O)=O)C=NN1CC2=CC=C(Cl)C=C2 |
安全数据
| WGK Germany | WGK 3 |
| 存储类别 | 11 - Combustible Solids |
| 危险性类别 | Aquatic Acute 1 Aquatic Chronic 1 Eye Irrit. 2 |