Heptafluorobutyric anhydride
HFAA · PERFLUOROBUTYRIC ANHYDRIDE · 2,2,3,3,4,4,4-heptafluorobutanoic anhydride · AKOS B020344 · uorobutyric anhydride · Heptafluorotic anhydride · Perfluorobutanoic anhydride · HEPTAFLUOROBUTYRIC ANHYDRIDE
식별자 및 물리적 특성
| CAS No. | 336-59-4 |
|---|---|
| 분자식 | C8F14O3 |
| 평균 분자량 | 410.06 g/mol |
| 단동위원소 질량 | 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 |
화학 및 물리적 성질
| XLogP | 4.8 |
|---|---|
| 극성 표면적 | 43.4 |
| 수소 결합 공여자 수 | 0 |
| 수소 결합 수용자 수 | 17 |
| 회전 가능 결합 수 | 6 |
| 무거운 원자 수 | 25 |
| 형식 전하 | 0 |
| 복잡도 | 493 |
| PFAS | PFAS -> non-polymerPFAS -> Other/unspecifiedPFAS -> OECD CategoryPFAS -> Perfluoroalkane carbonyl fluoride (PACF)-based substances |
| SpringerMaterials Properties | Diamagnetic susceptibility |
| 녹는점 | −43 °C(lit.) |
| 끓는 점 | 108-110 °C(lit.) |
| 밀도 | 1.674 g/mL at 20 °C(lit.) |
| 굴절률 | n20/D 1.287(lit.) |
| 인화점 | None |
| 저장 조건 | room temp |
| 용해도 | 할로겐화 용매와 혼합 가능. 극성 용매와 섞이지 않습니다. |
| 물리적 상태 | 액체 |
| 비중 | 1.653 |
| 색상 | 무색 내지 거의 무색 |
| 용해도 | 물과 반응 |
| BRN | 856036 |
| 안정성 | 수분에 민감한 |
| 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 |
| NIST | Heptafluorobutyric anhydride(336-59-4) |
| EPA | Heptafluorobutyric anhydride (336-59-4) |
화학적 성질
clear colorless liquid
안전 및 규제
| GHS 분류 | 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] |
|---|---|
| 규제 정보 | Chemical: Butanoic acid, heptafluoro-, anhydrideBis(heptafluorobutyric) anhydride: Does not have an individual approval but may be used under an appropriate group standard |
| 기타 안전 정보 | 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 |
| 수질 위해 등급(WGK) | 3 |
| TSCA 등재 상태 | TSCA listed |
| 운송 번호(UN) | UN 3265 8/PG 2 |
| 관세 코드 | 29159080 |
| 위험 문구(R) | 34 |
| 위험 표시 | C |
| 안전 문구(S) | 26-36/37/39-45 |
| 포장분류 | III |
| 위험 등급 | 8Skin Corr. 1B |
| F 고인화성물질 | 10-21 |
| 위험 참고 사항 | Corrosive/Hygroscopic |
| 저장 분류 | 8A - Combustible corrosive hazardous materials |
용도
용도
As a GC derivatizing agent, Heptafluorobutyric anhydride is used to prepare volatile derivatives of amino acids and other biologically active compounds.
일반 설명
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.