CAS号:375-95-1-全氟壬酸 - Perfluorononanoic acid-科华智慧

1. 主信息

英文名:	Perfluorononanoic acid
中文名:	全氟壬酸
CAS编号:	375-95-1
化学分子式：	C₈F₁₇COOH
化学分子量：	464.08 g/mol
SMILES：	C(=O)(C(C(C(C(C(C(C(C(F)(F)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：	2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-heptadecafluorononanoic acid C9-PFA heptadecafluorononanoic acid perfluoro-n-nonanoic acid perfluoro-n-nonanoic acid, ammonium salt

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	1g	97%	264	RT	现货	-

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3. 结构

3.1 二维结构

3.2 三维结构

-1 -2 -3 29 28 0 0 0 0 0 0 0999 V2000 0.8732 -1.6120 -0.9120 F 0 0 0 0 0 0 0 0 0 0 0 0 -0.6602 -1.6983 0.6124 F 0 0 0 0 0 0 0 0 0 0 0 0 -1.4407 -0.7803 -1.8066 F 0 0 0 0 0 0 0 0 0 0 0 0 0.0217 0.8134 -1.7543 F 0 0 0 0 0 0 0 0 0 0 0 0 0.3086 0.5052 1.8396 F 0 0 0 0 0 0 0 0 0 0 0 0 1.6910 -1.1479 1.6143 F 0 0 0 0 0 0 0 0 0 0 0 0 -2.4032 1.6689 -1.2684 F 0 0 0 0 0 0 0 0 0 0 0 0 -1.1016 1.8925 0.4533 F 0 0 0 0 0 0 0 0 0 0 0 0 2.7791 1.3090 1.4929 F 0 0 0 0 0 0 0 0 0 0 0 0 1.5046 1.8827 -0.1648 F 0 0 0 0 0 0 0 0 0 0 0 0 -2.2818 -0.2233 1.6957 F 0 0 0 0 0 0 0 0 0 0 0 0 -3.6053 1.3893 1.0944 F 0 0 0 0 0 0 0 0 0 0 0 0 3.9643 1.3355 -0.9243 F 0 0 0 0 0 0 0 0 0 0 0 0 2.5479 -0.0940 -1.7279 F 0 0 0 0 0 0 0 0 0 0 0 0 -3.0967 -1.6794 -0.5286 F 0 0 0 0 0 0 0 0 0 0 0 0 -4.4683 -0.0804 -1.0667 F 0 0 0 0 0 0 0 0 0 0 0 0 -4.6881 -1.1055 0.8474 F 0 0 0 0 0 0 0 0 0 0 0 0 5.0840 -0.3703 0.6243 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7007 -2.0230 -0.1087 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1274 -0.8286 -0.0819 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7674 0.0432 -0.9531 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0614 -0.1578 0.9171 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7762 0.9644 -0.2802 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1205 0.8114 0.4051 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8504 0.3600 0.6114 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1602 0.2892 -0.5766 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7893 -0.6264 -0.0382 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9846 -0.8375 -0.0158 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6255 -1.0966 1.0006 H 0 0 0 0 0 0 0 0 0 0 0 0 1 20 1 0 0 0 0 2 20 1 0 0 0 0 3 21 1 0 0 0 0 4 21 1 0 0 0 0 5 22 1 0 0 0 0 6 22 1 0 0 0 0 7 23 1 0 0 0 0 8 23 1 0 0 0 0 9 24 1 0 0 0 0 10 24 1 0 0 0 0 11 25 1 0 0 0 0 12 25 1 0 0 0 0 13 26 1 0 0 0 0 14 26 1 0 0 0 0 15 27 1 0 0 0 0 16 27 1 0 0 0 0 17 27 1 0 0 0 0 18 28 1 0 0 0 0 18 29 1 0 0 0 0 19 28 2 0 0 0 0 20 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 24 26 1 0 0 0 0 25 27 1 0 0 0 0 26 28 1 0 0 0 0

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4. 国际命名与标识

4.1 IUPAC Name

2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-heptadecafluorononanoic acid

4.2 InChl

InChI=1S/C9HF17O2/c10-2(11,1(27)28)3(12,13)4(14,15)5(16,17)6(18,19)7(20,21)8(22,23)9(24,25)26/h(H,27,28)

4.3 InChlKey

UZUFPBIDKMEQEQ-UHFFFAOYSA-N

4.4 Canonical SMILES

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