化工社化工社 化学情報印刷レポート · 研究参考用
ヘプタデカフルオロノナン酸
ヘプタデカフルオロノナン酸 · 2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-ヘプタデカフルオロノナン酸 · ペルフルオロノナン酸 · 2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-ヘプタデカフルオロペラルゴン酸 · パーフルオロノナン酸 · パーフルオロノナン酸(PFNA)、50 UG/MLメタノール溶液 · ペルフルオロ-ｎ-ノナン酸 · PFNA
識別子と物理属性
| CAS No. | 375-95-1 |
|---|---|
| 分子式 | C8F17COOH |
| 平均分子量 | 464.08 g/mol |
| 単同位体質量 | 463.97050901 g/mol |
| SMILES | O=C(O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F |
| InChIKey | UZUFPBIDKMEQEQ-UHFFFAOYSA-N |
| PubChem CID | 67821 |
| ChEMBL | CHEMBL426404 |
| ChEBI | CHEBI:38397 |
| EC No. | 206-801-3 |
| DTXSID | DTXSID8031863 |
| 現地名 | ヘプタデカフルオロノナン酸 |
化学・物理的性質
| XLogP | 5.6 |
|---|---|
| 極性表面積 | 37.3 |
| 水素結合供与体数 | 1 |
| 水素結合受容体数 | 19 |
| 回転可能結合数 | 7 |
| 重原子数 | 28 |
| 形式電荷 | 0 |
| 複雑度 | 615 |
| 物質分類 | Other Classes -> Perfluoroalkyl AcidsIonic Liquids -> Fluorinated Ionic Liquids |
| PFAS | PFAS -> Perfluorocarboxylic acidsPFAS -> OECD CategoryPFAS -> Perfluoroalkyl acids (PFAAs)PFAS -> PFcarboxylic acids (PFCA)PFAS -> Other/unspecified |
| Endocrine Disruptors | Potential endocrine disrupting compound |
| 蒸気圧 | 0.08 [mmHg]-0.18 ± 0.01 [log Psd at 298.15 K (Pa)] |
| Physical Description | Beige crystalline solid[Sigma-Aldrich MSDS] |
| Dissociation Constants | pKa = -0.21 |
| Collision Cross Section | 147.0 Ų [M-H-CO2]- [CCS Type: DTBuffer gas: N2Ionization: ESI-Dataset: PFAS]240.71 Ų [2M-H]- |
| Enthalpy of Sublimation | 88.7 ± 2.3 [ΔsubHb (kJ/mol) at 294.4-317.7 K] |
| 融点 | 59-62 °C (lit.) |
| 沸点 | 218°C |
| 密度 | 1.7397 (estimate) |
| 引火点 | 218°C |
| 貯蔵条件 | Refrigerator |
| 溶解度 | アセトン（微量）、DMSO（微量）、メタノール（微量） |
| pKa（酸解離定数） | 0.52±0.10(Predicted) |
| 外観・状態 | 個体 |
| 色 | オフホワイトからベージュ |
| BRN | 1897287 |
| ヘンリー定数 | 4.3×10-2 mol/(m3Pa) at 25℃, Arp et al. (2006) |
| 安定性 | 安定。強塩基、強酸化剤とは相容れない。腐食性 - 火傷の原因となります。 |
| 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)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F |
| CAS データベース | 375-95-1(CAS DataBase Reference) |
| EPAの化学物質情報 | Perfluorononanoic acid (375-95-1) |
化学的特性
Perfluorononanoic acid is a white crystalline powder or beige crystals. Perfluorononanoic acid has the ability to react with bases, oxidizing agents, and reducing agents. Upon decomposition, PFNA can form carbon oxides and hydrogen fluoride.
安全性と法規制
| GHS 分類 | DangerH302: Harmful if swallowed [Warning Acute toxicity, oral]P203, P260, P261, P263, P264, P264+P265, P270, P271, P280, P301+P317, P304+P340, P305+P354+P338, P317, P318, P319, P330, P405, and P501 (click each P-code to see the statement)H314 (12.2%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]P260, P261, P264, P264+P265, P271, P280, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P319, P321, P332+P317, P337+P317, P362+P364, P363, P403+P233, P405, and P501 (click each P-code to see the statement) |
|---|---|
| 規制情報 | Hazard Traits - BioaccumulationCarcinogenicityDevelopmental ToxicityEndocrine ToxicityEnvironmental PersistenceHepatotoxicity and Digestive System ToxicityImmunotoxicityReproductive ToxicityS - indicates a substance that is identified in a final Significant New Use Rule.Restricted substance: Perfluorononan-1-oic acidSubstance: Perfluorononan-1-oic-acid |
| 有害性の概要 | Causes changes in spleen, inflammation, changes in blood serum composition, androgenic and estrogenic effects, and effects on enzymes in acute oral studies of rats[RTECS] A skin and strong eye irritant[Sigma-Aldrich MSDS] Serum PFAS concentrations were not associated with increased cardiometabolic risk measures in this population of firefighters. [PMID 33105404] See Perfluorodecanoic acid. See Perfluorooctane sulfonic acid. |
| 清浄水法要件 | Monitoring requirements for unregulated contaminants. This section specifies the monitoring and quality control requirements that must be followed if you own or operate a public water system (PWS) that is subject to the Unregulated Contaminant Monitoring Regulation (UCMR), as specified in paragraphs (a)(1) and (2) of this section. Perfluorononanoic acid (PFNA) is included on this list. |
| Hazard Classes and Categories | Skin Corr. 1C (12.2%)Carcinogenicity - category 2Reproductive toxicity - Category 1B, Additional category: Effects on or via lactationSpecific target organ toxicity - Repeated exposure - Category 1 (genetic organs (women)) |
用途
用途
フルオロポリマーの製造のための加工助剤。また、潤滑油添加剤、消火器用の界面活性剤、洗浄剤、織物の防汚加工剤、研磨界面活性剤、防水剤。液晶表示パネル内。
用途
界面活性剤 (NITE CHRIP)
使用
Perfluorinated compounds (PFCs) are persistent in environments due to the high energy of C-F bond routes. PFNA may interfere in a toxic fashion on the immune system, liver, development, and endocrine systems.