952183-40-3
中文名称
4-(5-巯基-4-甲基-4H-1,2,4-三唑-3-基)哌啶-1-羧酸叔丁酯
英文名称
4-[4-Methyl-5-thio-4H-1,2,4-triazol-3-yl]piperidine, N-BOC protected
CAS
952183-40-3
分子式
C13H22N4O2S
分子量
298.4
MOL 文件
952183-40-3.mol
952183-40-3 结构式
基本信息
中文别名
4-(5-巯基-4-甲基-4H-1,2,4-三唑-3-基)哌啶-1-羧酸叔丁酯 英文别名
4-[4-Methyl-5-thio-4H-1,2,4-triazol-3-yl]piperidine, N-BOC protected3-(1-Bocpiperidin-4-yl)-4-methyl-4,5-dihydro-1H-1,2,4-triazole-5-thione
Tert-butyl 4-(5-mercapto-4-methyl-4h-1,2,4-triazol-3-yl)piperidine-1-carboxylate
tert-Butyl 4-(4-methyl-5-thioxo-4,5-dihydro-1H-1,2,4-triazol-3-yl)piperidine-1-carboxylate
tert-butyl 4-(4-methyl-5-sulfanyl-4H-1,2,4-triazol-3-yl)tetrahydro-1(2H)-pyridinecarboxylate
tert-Butyl 4-(4-methyl-5-sulphanyl-4H-1,2,4-triazol-3-yl)tetrahydro-1(2H)-pyridinecarboxylate
1-Piperidinecarboxylic acid, 4-(4,5-dihydro-4-methyl-5-thioxo-1H-1,2,4-triazol-3-yl)-, 1,1-dimethylethyl ester
物理化学性质
熔点228-230
沸点380.8±52.0 °C(Predicted)
密度1.29±0.1 g/cm3(Predicted)
酸度系数(pKa)9.53±0.20(Predicted)
形态solid
InChI1S/C13H22N4O2S/c1-13(2,3)19-12(18)17-7-5-9(6-8-17)10-14-15-11(20)16(10)4/h14H,5-8H2,1-4H3,(H,15,20)
InChIKeyVHHXOABXEVMTRV-UHFFFAOYSA-N
安全数据
警示词警告
危险性描述H315-H317-H319-H400
危险品标志Xi
WGK GermanyWGK 3
危险等级IRRITANT
海关编码2933399990
存储类别11 - Combustible Solids
危险性类别Aquatic Acute 1
Eye Irrit. 2
Skin Irrit. 2
Skin Sens. 1
Eye Irrit. 2
Skin Irrit. 2
Skin Sens. 1