CAS号:335-67-1-全氟辛酸 - Perfluorooctanoic acid-科华智慧

1. 主信息

英文名:	Perfluorooctanoic acid
中文名:	全氟辛酸
CAS编号:	335-67-1
化学分子式：	C₈HF₁₅O₂
化学分子量：	414.07 g/mol
SMILES：	C(=O)(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)O
来源：	合成化合物
结构类型：	-
其它名称或标识：	ammonium perfluorooctanoate APFO pentadecafluorooctanoic acid perfluorinated octanoic acid perfluorooctanoate

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	100mg	GC≥99%	528	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 26 25 0 0 0 0 0 0 0999 V2000 -1.0539 1.9481 -0.2014 F 0 0 0 0 0 0 0 0 0 0 0 0 0.5434 1.2581 -1.5025 F 0 0 0 0 0 0 0 0 0 0 0 0 1.2215 1.6487 1.0783 F 0 0 0 0 0 0 0 0 0 0 0 0 -0.3328 0.2934 1.7581 F 0 0 0 0 0 0 0 0 0 0 0 0 -1.8211 0.1669 -2.1654 F 0 0 0 0 0 0 0 0 0 0 0 0 -0.4525 -1.3197 -1.3550 F 0 0 0 0 0 0 0 0 0 0 0 0 2.0673 -0.7623 1.9165 F 0 0 0 0 0 0 0 0 0 0 0 0 0.8055 -1.7942 0.4870 F 0 0 0 0 0 0 0 0 0 0 0 0 -2.9835 -1.7149 -0.6823 F 0 0 0 0 0 0 0 0 0 0 0 0 -1.6932 -1.3046 1.0212 F 0 0 0 0 0 0 0 0 0 0 0 0 2.1054 -0.6120 -1.6013 F 0 0 0 0 0 0 0 0 0 0 0 0 3.3419 -1.7554 -0.2365 F 0 0 0 0 0 0 0 0 0 0 0 0 -3.9677 0.8422 -0.5956 F 0 0 0 0 0 0 0 0 0 0 0 0 -2.6826 1.3007 1.1093 F 0 0 0 0 0 0 0 0 0 0 0 0 -4.1728 -0.2740 1.2669 F 0 0 0 0 0 0 0 0 0 0 0 0 4.5699 0.3287 0.6742 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3666 1.6773 -0.7043 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2911 0.8598 -0.5112 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5314 0.5262 0.7274 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2138 -0.2391 -1.0209 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5064 -0.6431 0.6776 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2850 -0.7254 -0.0556 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6302 -0.5967 -0.3477 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2786 0.3000 0.4302 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5392 0.5913 -0.1672 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1534 1.1082 0.7930 H 0 0 0 0 0 0 0 0 0 0 0 0 1 18 1 0 0 0 0 2 18 1 0 0 0 0 3 19 1 0 0 0 0 4 19 1 0 0 0 0 5 20 1 0 0 0 0 6 20 1 0 0 0 0 7 21 1 0 0 0 0 8 21 1 0 0 0 0 9 22 1 0 0 0 0 10 22 1 0 0 0 0 11 23 1 0 0 0 0 12 23 1 0 0 0 0 13 24 1 0 0 0 0 14 24 1 0 0 0 0 15 24 1 0 0 0 0 16 25 1 0 0 0 0 16 26 1 0 0 0 0 17 25 2 0 0 0 0 18 19 1 0 0 0 0 18 20 1 0 0 0 0 19 21 1 0 0 0 0 20 22 1 0 0 0 0 21 23 1 0 0 0 0 22 24 1 0 0 0 0 23 25 1 0 0 0 0

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4. 国际命名与标识

4.1 IUPAC Name

2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluorooctanoic acid

4.2 InChl

InChI=1S/C8HF15O2/c9-2(10,1(24)25)3(11,12)4(13,14)5(15,16)6(17,18)7(19,20)8(21,22)23/h(H,24,25)

4.3 InChlKey

SNGREZUHAYWORS-UHFFFAOYSA-N

4.4 Canonical SMILES

C(=O)(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)O

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

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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