CAS号:126-73-8-磷酸三正丁酯 - Tributyl phosphate-科华智慧

1. 主信息

英文名:	Tributyl phosphate
中文名:	磷酸三正丁酯
CAS编号:	126-73-8
化学分子式：	C₁₂H₂₇O₄P
化学分子量：	266.31 g/mol
SMILES：	CCCCOP(=O)(OCCCC)OCCCC
来源：	合成化合物
结构类型：	-
其它名称或标识：	TBP tri-(n-butyl )-phosphate tri-n-butyl phosphate tri-n-butylphosphate tributyl phosphate

2. 供应商与价格

供应商	包装规格	含量	价格(元)	环境要求	货期	说明
科华智慧	1.2ml	1000μg/ml in methylbenzene	312	2-8℃	现货	-
科华智慧	1.2ml	100μg/ml in methylbenzene	104	2-8℃	现货	-
科华智慧	1.2ml	1000μg/ml in methanol	312	2-8℃	现货	-
科华智慧	250mg	99%	428	2-8℃	现货	-

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3. 结构

3.1 二维结构

3.2 三维结构

-1 -2 -3 44 43 0 0 0 0 0 0 0999 V2000 -0.0186 0.9624 0.8627 P 0 0 0 0 0 0 0 0 0 0 0 0 1.2473 1.2399 -0.1099 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2877 1.2056 -0.1148 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0025 -0.6395 1.1070 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0321 1.7824 2.1216 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5653 1.3354 -0.6904 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6053 1.2384 -0.7041 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0350 -2.9584 0.5224 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5508 1.0076 0.3958 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5864 0.9382 0.3860 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0167 -1.5280 0.0026 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9957 1.0918 -0.2175 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0326 0.9864 -0.2262 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0669 -3.9720 -0.6180 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0032 1.3791 -1.3192 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0494 1.3286 -1.3035 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1287 -5.3979 -0.0945 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3510 0.7285 -1.5791 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4405 2.3795 -1.0035 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4916 2.2805 -1.0281 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3859 0.6247 -1.5867 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9063 -3.0941 1.1754 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8442 -3.1270 1.1568 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6409 -0.0393 0.7025 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7102 1.6430 1.2734 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7650 1.5697 1.2627 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6505 -0.1106 0.6931 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9037 -1.3352 -0.6087 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8722 -1.3600 -0.6133 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1086 0.0511 0.1079 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2151 1.7280 0.6478 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2393 1.5898 0.6654 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1491 -0.0654 0.0596 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9385 -3.7872 -1.2566 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8250 -3.8554 -1.2446 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8313 0.7336 -2.1864 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9381 2.4212 -1.6480 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0208 1.1996 -0.9585 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9812 2.3838 -1.5866 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8901 0.7210 -2.2000 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0645 1.1391 -0.9405 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0287 -5.5560 0.5083 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7445 -5.6265 0.5248 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1493 -6.1071 -0.9279 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 1 4 1 0 0 0 0 1 5 2 0 0 0 0 2 9 1 0 0 0 0 3 10 1 0 0 0 0 4 11 1 0 0 0 0 6 9 1 0 0 0 0 6 12 1 0 0 0 0 6 18 1 0 0 0 0 6 19 1 0 0 0 0 7 10 1 0 0 0 0 7 13 1 0 0 0 0 7 20 1 0 0 0 0 7 21 1 0 0 0 0 8 11 1 0 0 0 0 8 14 1 0 0 0 0 8 22 1 0 0 0 0 8 23 1 0 0 0 0 9 24 1 0 0 0 0 9 25 1 0 0 0 0 10 26 1 0 0 0 0 10 27 1 0 0 0 0 11 28 1 0 0 0 0 11 29 1 0 0 0 0 12 15 1 0 0 0 0 12 30 1 0 0 0 0 12 31 1 0 0 0 0 13 16 1 0 0 0 0 13 32 1 0 0 0 0 13 33 1 0 0 0 0 14 17 1 0 0 0 0 14 34 1 0 0 0 0 14 35 1 0 0 0 0 15 36 1 0 0 0 0 15 37 1 0 0 0 0 15 38 1 0 0 0 0 16 39 1 0 0 0 0 16 40 1 0 0 0 0 16 41 1 0 0 0 0 17 42 1 0 0 0 0 17 43 1 0 0 0 0 17 44 1 0 0 0 0

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4. 国际命名与标识

4.1 IUPAC Name

tributyl phosphate

4.2 InChl

InChI=1S/C12H27O4P/c1-4-7-10-14-17(13,15-11-8-5-2)16-12-9-6-3/h4-12H2,1-3H3

4.3 InChlKey

STCOOQWBFONSKY-UHFFFAOYSA-N

4.4 Canonical SMILES

CCCCOP(=O)(OCCCC)OCCCC

4.5 lsomeric SMILES

4.6 SDF文件

补充中

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5. 波谱数据

5.1 ¹³C核磁共振谱(¹³C NMR)

5.2 ¹H核磁共振谱(¹H NMR)

5.3 质谱(MS)

补充中

5.4 红外光谱(IR)

补充中

5.5 紫外/可见光谱(UV/Vis)

补充中

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6. 相关药材

中文名称	英文名称	拉丁文名称
大蓟	all-grass of Thistle	Herba Cirsii Japonici;Radix Cirsii Japonici;Herba
鄂西香茶菜	Henry Rabdosia	Isodon henryi
黄芩	root of Baikal skullcap	Radix Scutellariae

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7. 相关靶点

基因靶点

靶点位置

参考文献

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8. 相关疾病

疾病名称

疾病类型