ヘプタフルオロ酪酸無水物
ヘプタフルオロ酪酸無水物 · 1,1,1,2,2,3,3,7,7,8,8,9,9,9-テトラデカフルオロ-5-オキサノナン-4,6-ジオン · 二(ヘプタフルオロブタン酸)無水物 · ビス(ヘプタフルオロ酪酸)無水物 · 二(ヘプタフルオロ酪酸)無水物 · ビス(ヘプタフルオロブタン酸)無水物 · ビス(2,2,3,3,4,4,4-ヘプタフルオロブタン酸)無水物 · ペルフルオロ酪酸無水物
識別子と物理属性
| CAS No. | 336-59-4 |
|---|---|
| 分子式 | C8F14O3 |
| 平均分子量 | 410.06 g/mol |
| 単同位体質量 | 409.96238894 g/mol |
| SMILES | O=C(OC(=O)C(F)(F)C(F)(F)C(F)(F)F)C(F)(F)C(F)(F)C(F)(F)F |
| InChIKey | UFFSXJKVKBQEHC-UHFFFAOYSA-N |
| PubChem CID | 67643 |
| ChEBI | CHEBI:39424 |
| EC No. | 206-410-8 |
| DTXSID | DTXSID10861881 |
| 現地名 | ヘプタフルオロ酪酸無水物 |
化学・物理的性質
| XLogP | 4.8 |
|---|---|
| 極性表面積 | 43.4 |
| 水素結合供与体数 | 0 |
| 水素結合受容体数 | 17 |
| 回転可能結合数 | 6 |
| 重原子数 | 25 |
| 形式電荷 | 0 |
| 複雑度 | 493 |
| PFAS | PFAS -> non-polymerPFAS -> Other/unspecifiedPFAS -> OECD CategoryPFAS -> Perfluoroalkane carbonyl fluoride (PACF)-based substances |
| SpringerMaterials Properties | Diamagnetic susceptibility |
| 融点 | −43 °C(lit.) |
| 沸点 | 108-110 °C(lit.) |
| 密度 | 1.674 g/mL at 20 °C(lit.) |
| 屈折率 | n20/D 1.287(lit.) |
| 引火点 | None |
| 貯蔵条件 | room temp |
| 溶解度 | ハロゲン系溶剤と混和します。極性溶媒と混和しません。反応する |
| 外観・状態 | 液体 |
| 比重 | 1.653 |
| 色 | Colorless to Almost colorless |
| BRN | 856036 |
| 安定性 | Moisture Sensitive |
| InChI | 1S/C8F14O3/c9-3(10,5(13,14)7(17,18)19)1(23)25-2(24)4(11,12)6(15,16)8(20,21)22 |
| InChIKey | UFFSXJKVKBQEHC-UHFFFAOYSA-N |
| SMILES | FC(F)(F)C(F)(F)C(F)(F)C(=O)OC(=O)C(F)(F)C(F)(F)C(F)(F)F |
| CAS データベース | 336-59-4(CAS DataBase Reference) |
| NISTの化学物質情報 | Heptafluorobutyric anhydride(336-59-4) |
| EPAの化学物質情報 | Heptafluorobutyric anhydride (336-59-4) |
化学的特性
clear colorless liquid
安全性と法規制
| GHS 分類 | DangerH314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]P260, P264, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P363, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 52 reports by companies from 5 notifications to the ECHA C&L Inventory.H318: Causes serious eye damage [Danger Serious eye damage/eye irritation] |
|---|---|
| 規制情報 | Chemical: Butanoic acid, heptafluoro-, anhydrideBis(heptafluorobutyric) anhydride: Does not have an individual approval but may be used under an appropriate group standard |
| その他の安全情報 | IMAP assessments - Short chain perfluorocarboxylic acids and their direct precursors: Human health tier II assessment |
| Hazard Classes and Categories | Skin Corr. 1B (100%)Eye damage - category 1 |
| F | 10-21 |
| 水環境危害等級（WGK） | 3 |
| TSCA 収載状態 | TSCA listed |
| 輸送番号（UN） | UN 3265 8/PG 2 |
| 税関コード | 29159080 |
| 危険文句（R） | 34 |
| 危険表示 | C |
| hazard_note | Corrosive/Hygroscopic |
| 安全措置（S） | 26-36/37/39-45 |
| 危険等級 | 8Skin Corr. 1B |
| 包装等級 | III |
| 貯蔵分類 | 8A - Combustible corrosive hazardous materials |
用途
用途
農薬等のECD-GC分析前処理剤。
使用
As a GC derivatizing agent, Heptafluorobutyric anhydride is used to prepare volatile derivatives of amino acids and other biologically active compounds.
一般的な説明
Heptafluorobutyric anhydride is a perfluoroacylated acylation reagent, that forms stable, volatile derivatives with alcohols, amines, and phenols. It is majorly used to prepare electron-capturing derivatives for GC/electron capture detection. It is generally used with an acid scavenger, to help drive the reaction to completion and to prevent column damage from acidic by-products of the derivatization reaction. It is also used for the frequent testing of drugs of abuse such as, amphetamines and phencyclidine by GC-MS technique.