Pentafluorobenzoyl chloride
2,3,4,5,6-PENTAFLUOROBENZOYL CHLORIDE · PERFLUOROBENZOYL CHLORIDE · pentafluorobenzoychloride · SKL1300 · NSC 97002 · Pentafluorobenzoyl c · pentaflurobenzyl cyanide · PENTAFLUOROBENZOYL CHLORIDE
식별자 및 물리적 특성
| CAS No. | 2251-50-5 |
|---|---|
| 분자식 | C7ClF5O |
| 평균 분자량 | 230.52 g/mol |
| 단동위원소 질량 | 229.9557834 g/mol |
| SMILES | O=C(Cl)c1c(F)c(F)c(F)c(F)c1F |
| InChIKey | MYHOHFDYWMPGJY-UHFFFAOYSA-N |
| PubChem CID | 75256 |
| ChEBI | CHEBI:39425 |
| EC No. | 218-842-4 |
| DTXSID | DTXSID90177033 |
화학 및 물리적 성질
| XLogP | 2.9 |
|---|---|
| 극성 표면적 | 17.1 |
| 수소 결합 공여자 수 | 0 |
| 수소 결합 수용자 수 | 6 |
| 회전 가능 결합 수 | 1 |
| 무거운 원자 수 | 14 |
| 형식 전하 | 0 |
| 복잡도 | 222 |
| SpringerMaterials Properties | Nuclear quadrupole resonance spectroscopy |
| 끓는 점 | 158-159 °C(lit.) |
| 밀도 | 1.601 g/mL at 25 °C(lit.) |
| 굴절률 | n20/D 1.453(lit.) |
| 인화점 | None |
| 저장 조건 | Store below +30°C. |
| 용해도 | 클로로포름에 용해됨 |
| 물리적 상태 | 액체 |
| 비중 | 1.601 |
| 색상 | 무색투명~연황색 |
| 용해도 | 물에서 분해되다 |
| BRN | 2054397 |
| 안정성 | 수분에 민감한 |
| InChI | 1S/C7ClF5O/c8-7(14)1-2(9)4(11)6(13)5(12)3(1)10 |
| InChIKey | MYHOHFDYWMPGJY-UHFFFAOYSA-N |
| SMILES | Fc1c(F)c(F)c(c(F)c1F)C(Cl)=O |
| NIST | Pentafluorobenzoyl chloride(2251-50-5) |
화학적 성질
clear colorless to light yellow 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 61 reports by companies from 6 notifications to the ECHA C&L Inventory. |
|---|---|
| Hazard Classes and Categories | Skin Corr. 1B (100%) |
| 수질 위해 등급(WGK) | 3 |
| 운송 번호(UN) | UN 3265 8/PG 2 |
| 관세 코드 | 29163900 |
| 위험 문구(R) | 14-34 |
| 위험 표시 | C |
| 안전 문구(S) | 26-36/37/39-45 |
| 포장분류 | II |
| 위험 등급 | 8Skin Corr. 1B |
| F 고인화성물질 | 10-19-21 |
| 위험 참고 사항 | Corrosive/Lachrymator |
| 저장 분류 | 8A - Combustible corrosive hazardous materials |
용도
개요
Pentafluorobenzoyl chloride is the acid chloride of pentafluorobenzoic acid. It is a sensitive derivatising reagent for the analysis of amines, amides and phenols by electron capture gas chromatography. It has a role as a chromatographic reagent. It is an acyl chloride and a perfluorinated compound. It derives from a pentafluorobenzoic acid.2,3,4,5,6-Pentafluorobenzoyl chloride was used for derivatization of 5-androstenediol, testosterone, estradiol , dihydrotestosterone and estrone in a study to determine their serum levels. 2,3,4,5,6-Pentafluorobenzoyl chloride was used to derivatize dimethylamine(DMA) in study to develop a rapid and accurate GC–MS method for determination of DMA in human urine. 2,3,4,5,6-Pentafluorobenzoyl chloride was used in a study to detect the presence of Enterobacter cloacae in cultures of Leuconostoc mesenteroide by gas chromatography/mass spectrometry.
용도
Pentafluorobenzoyl Chloride is a useful analytical reagent in the derivatization amphetamines as well as other primary amines.