5-(三氟甲基)-4H-1,2,4-噻唑-3-胺 | 25979-00-4
5-(三氟甲基)-4H-1,2,4-噻唑-3-胺
5-(Trifluoromethyl)-4H-1,2,4-triazol-3-amine
25979-00-4
C3H3F3N4
152.0779
名称和标识符
MDL |
MFCD01820799 |
InChIKey |
NQNDCVURMZJFNR-UHFFFAOYSA-N |
Inchi |
1S/C3H3F3N4/c4-3(5,6)1-8-2(7)10-9-1/h(H3,7,8,9,10) |
SMILES |
FC(C1=NC(N([H])[H])=NN1[H])(F)F |
别名信息
- 中文别名 -
- 5-(三氟甲基)-4H-1,2,4-噻唑-3-胺
- 5-(三氟甲基)-1,2,4-三唑-3-胺
- 5-(三氟甲基)-1H-1,2,4-三唑-3-胺
- 英文别名 -
- 5-(Trifluoromethyl)-1H-1,2,4-triazol-3-amine
- 3-(TRIFLUOROMETHYL)-1H-1,2,4-TRIAZOL-5-AMINE
- 3-(trifluoromethyl)-1H-1,2,4-triazol-5-amine(SALTDATA: FREE)
- 5-(trifluoromethyl)-4H-1,2,4-triazol-3-amine
- NSC 515970
- NQNDCVURMZJFNR-UHFFFAOYSA-N
- 5-Trifluoromethyl-4H-[1,2,4]triazol-3-ylamine
- 3-amino-5-trifluoromethyl-1,2,4-triazole
- 5-Trifluoromethyl-2H-[1,2,4]triazol-3-ylamine
- 5-(trifluoromethyl)-1H-1,2,4-triazole-3-ylamine
- NSC515970
- C3H3F3N4
- ZERO/001249
- BBL016503
- SBB001612
- ZIN
物化性质
实验特性
PSA |
67.59 |
沸点 |
236.5±50.0 ºC (760 Torr), |
闪点 |
96.8±30.1 ºC, |
溶解度 |
微溶 (2 g/L) (25 ºC), |
密度 |
1.689±0.06 g/cm3 (20 ºC 760 Torr), |
计算特性
精确分子量 |
152.03109 |
氢键供体数量 |
2 |
氢键受体数量 |
6 |
可旋转化学键数量 |
0 |
重原子数量 |
10 |
复杂度 |
123 |
拓扑分子极性表面积 |
67.6 |