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Heptadecafluorononanoic Acid - >95.0%(GC), high purity , CAS No.375-95-1
Basic Description
Synonyms
2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-Heptadecafluorononanoic acid | 2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-Heptadecafluoro-Nonanoic Acid | DTXCID6011863 | NCGC00254315-01 | C8F17COOH | Q7168161 | Z56871598 | Heptadekafluornonansaeure | Heptadecafluorononanoic aci
Specifications & Purity
≥95%(GC)
Shipped In
Normal
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Organohalogen compounds
Class
Alkyl halides
Subclass
Alkyl fluorides
Intermediate Tree Nodes
Perfluoroalkyl carboxylic acid and derivatives
Direct Parent
Perfluorooctanoic acid and derivatives
Alternative Parents
Medium-chain fatty acids Halogenated fatty acids Alpha-halocarboxylic acids Monocarboxylic acids and derivatives Carboxylic acids Organofluorides Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aliphatic acyclic compounds
Substituents
Perfluorooctanoic acid or derivatives - Medium-chain fatty acid - Halogenated fatty acid - Fatty acyl - Fatty acid - Alpha-halocarboxylic acid - Alpha-halocarboxylic acid or derivatives - Carboxylic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Hydrocarbon derivative - Organic oxygen compound - Carbonyl group - Organic oxide - Organofluoride - Organooxygen compound - Aliphatic acyclic compound
Description
This compound belongs to the class of organic compounds known as perfluorooctanoic acid and derivatives. These are organic compounds containing an octyl chain attached to the C-alpha of a carboxylic acid group (or a derivative thereof), where all hydrogens of the octyl chain are replaced by fluorine atoms.
External Descriptors
fluoroalkanoic acid
Data sources
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.
Associated Targets(Human)
Associated Targets(non-human)
Mechanisms of Action
Mechanism of Action
Action Type
target ID
Target Name
Target Type
Target Organism
Binding Site Name
References
Names and Identifiers
IUPAC Name
2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-heptadecafluorononanoic acid
INCHI
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)
InChIKey
UZUFPBIDKMEQEQ-UHFFFAOYSA-N
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
Isomeric 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
WGK Germany
3
Molecular Weight
464.08
Beilstein
1897290
Reaxy-Rn
1897287
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1897287&ln=
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Boil Point(°C)
218°C
Melt Point(°C)
59-62 °C
Molecular Weight
464.080 g/mol
XLogP3
5.600
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
19
Rotatable Bond Count
7
Exact Mass
463.971 Da
Monoisotopic Mass
463.971 Da
Topological Polar Surface Area
37.300 Ų
Heavy Atom Count
28
Formal Charge
0
Complexity
615.000
Isotope Atom Count
0
Defined Atom Stereocenter Count
0
Undefined Atom Stereocenter Count
0
Defined Bond Stereocenter Count
0
Undefined Bond Stereocenter Count
0
The total count of all stereochemical bonds
0
Covalently-Bonded Unit Count
1
Alternative Products
2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-Heptadecafluorononylamine
Citations of This Product
1.
Fan Dong, Fan Ge, Xinting Zhao, Daming Sun, Suyu Ren, Yan Wang, Feng Tan.
(2024)
Measurement of perfluoroalkyl substances in drinking water sources by DGT sampler with a novel fluorinated graphite binding gel. SCIENCE OF THE TOTAL ENVIRONMENT,
912
(169658).
2.
Xu-Qin Ran, Shu-Ting Xu, Hai-Long Qian, Xiu-Ping Yan.
(2023)
Irreversible fluorine covalent organic framework based probe nanoelectrospray ionization mass spectrometry for direct and rapid determination of perfluoroalkyl carboxylic acids. JOURNAL OF HAZARDOUS MATERIALS,
455
(131584).
3.
Yang Wang, Rongkai Ren, Fang Chen, Liming Jing, Zhenhua Tian, Zhijian Li, Jianzhi Wang, Chen Hou.
(2023)
Molecularly imprinted MOFs-driven carbon nanofiber for sensitive electrochemical detection and targeted electro-Fenton degradation of perfluorooctanoic acid. SEPARATION AND PURIFICATION TECHNOLOGY,
310
(123257).
4.
Hong Yin, Ruya Chen, Haibo Wang, Cory Schwarz, Haotian Hu, Baoyou Shi, Yili Wang.
(2023)
Co-occurrence of phthalate esters and perfluoroalkyl substances affected bacterial community and pathogenic bacteria growth in rural drinking water distribution systems. SCIENCE OF THE TOTAL ENVIRONMENT,
856
(158943).
5.
Sihua Chen, Aimin Li, Lizhi Zhang, Jingming Gong.
(2015)
Molecularly imprinted ultrathin graphitic carbon nitride nanosheets–Based electrochemiluminescence sensing probe for sensitive detection of perfluorooctanoic acid. ANALYTICA CHIMICA ACTA,
896
(68).
6.
Jingming Gong, Tian Fang, Dinghua Peng, Aimin Li, Lizhi Zhang.
(2015)
A highly sensitive photoelectrochemical detection of perfluorooctanic acid with molecularly imprined polymer-functionalized nanoarchitectured hybrid of AgI–BiOI composite. BIOSENSORS & BIOELECTRONICS,
73
(256).
7.
Mingguo Peng, Yang Xu, Yao Wu, Xuewen Cai, Weihua Zhang, Lu Zheng, Erdeng Du, Jiajun Fu.
(2024)
Binding Affinity and Mechanism of Six PFAS with Human Serum Albumin: Insights from Multi-Spectroscopy, DFT and Molecular Dynamics Approaches. Toxics,
12
(1):
(43).
8.
Shi-Ya Peng, Ya-Di Yang, Rong Tian, Naihao Lu.
(2025)
Critical new insights into the interactions of hexafluoropropylene oxide-dimer acid (GenX or HFPO-DA) with albumin at molecular and cellular levels. Journal of Environmental Sciences,
149
(88).
9.
Jinni Zhang, Songtao Li, Xiaojing Li, Canrong Chen, Wen Xie, Yanhui Zhong, Zian Lin, Zongwei Cai.
(2025)
Determination of perfluoroalkyl carboxylic acids in mice serum and tissue by dispersive solid-phase extraction based on fluorine-functionalized covalent organic frameworks coupled with UPLC-MS/MS. JOURNAL OF CHROMATOGRAPHY A,
1747
(465820).
10.
Qi Jiang, Donghui Zhang, Naifan Hu, Yunfei Ma, Huibin Jin, Yunhao Zhao, Ming Zhang, Bin Li, Zhenzhen Huang, Bifeng Yuan, Ying Zhu, Jianbo Tian, Xiaoping Miao.
(2025)
Environmental Chemical-Induced Cardiometabolic Disorders: Combined Epidemiological and Experimental Evidence. ENVIRONMENTAL SCIENCE & TECHNOLOGY,
11.
Huan Liu, Siyuan Di, Yunkang Liu, Zihan Li, Pin Chen, Shukui Zhu.
(2025)
Magnetic fluorinated mesoporous metal-organic frameworks for rapid derivatization-assisted GC–MS analysis of perfluoroalkyl carboxylic acids in harsh water environment. JOURNAL OF CHROMATOGRAPHY A,
1741
(465612).
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11 Citations
K2412433