펜타플로로벤젠슬포닐클로라이드

2,3,4,5,6-Pentafluorobenzenesulfonyl chloride

HCID 70026CAS 832-53-1

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: O=S(=O)(Cl)c1c(F)c(F)c(F)c(F)c1F
InChIKey: UOJCTEGNHXRPKO-UHFFFAOYSA-N
분자식: C6ClF5O2S
평균 분자량: 266.57 g/mol
단동위원소 질량: 265.92276902

개요

RN given from first source; RN not in Chemline 1/85

이름 및 식별자

우선 이름: 2,3,4,5,6-Pentafluorobenzenesulfonyl chloride
IUPAC: 2,3,4,5,6-pentafluorobenzenesulfonyl chloride
현지명: 펜타플로로벤젠슬포닐클로라이드
영어명: Pentafluorobenzenesulfonyl chloride
분자식: C6ClF5O2S
분자량: 266.57

이름 및 동의어

Pentafluorobenzenesulfonyl chloride832-53-12,3,4,5,6-pentafluorobenzenesulfonyl chlorideNSC-969982P6FR9SY79DTXSID50232213PFBSCRefChem:859802DTXCID50154704212-620-02,3,4,5,6-Pentafluorobenzene-1-sulfonyl chloridePentafluorobenzenesulphonyl chloride

이름 더 보기

펜타플로로벤젠슬포닐클로라이드펜타플루오로벤젠설폰일 클로라이드Pentafluoro-1-benzenesulfonyl ChlorideAC 1471176720_FLUKA103764_ALDRICHEINECS 212-620-0Pentafluorophenylsulfonyl chloridepentafluorobenzenesulonyl chloride

2,3,4,5,6-Pentafluorobenzenesulfonyl chorideBenzenesulfonyl chloride, pentafluoro-C6ClF5O2SMFCD00007427NSC 96998pentafluorobenzene-1-sulfonyl chlorideUNII-2P6FR9SY79NSC96998

데이터베이스 식별자

CAS: 832-53-1
PubChem CID: 70026
DTXSID: DTXSID50232213
UNII: 2P6FR9SY79
EC Number: 212-620-0
Nikkaji: J195.100I

물성

구조 계산 물성

XLogP: 1.9
극성 표면적: 42.5 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 7
회전 가능 결합 수: 1
무거운 원자 수: 15
형식 전하: 0
복잡도: 315

실험 및 물리화학적 성질

SpringerMaterials PropertiesSchoenflies notation

물리화학적 성질

끓는 점: 210 · 210-211 °C(lit.)
밀도: 1.796 g/mL · 1.796 g/mL at 25 °C(lit.)
굴절률: 20 · n20/D 1.479(lit.)
인화점: 195 °F · 195 °F
저장 조건: Sealed in dry,Room Temperature
물리적 상태: 투명한 액체
색상: 무색 내지 거의 무색
Specific Gravity: 1.797 · 1.797
수용성: 물에 용해됩니다(느리게 반응함).
BRN: 2142325 · 2142325
InChI: InChI=1S/C6ClF5O2S/c7-15(13,14)6-4(11)2(9)1(8)3(10)5(6)12
InChIKey: UOJCTEGNHXRPKO-UHFFFAOYSA-N
SMILES: C1(S(Cl)(=O)=O)=C(F)C(F)=C(F)C(F)=C1F

화학적 성질

clear colourless to light yellow liquid

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

H314 (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 50 reports by companies from 6 notifications to the ECHA C&L Inventory.

유해성 정보

Hazard Classes and CategoriesSkin Corr. 1B (100%)

안전 데이터

wgk: 3
ridadr: UN 3265 8/PG 2
HS 번호: 29049090
risk_code: 34-37
hazard_code: C
safety_code: 26-36/37/39-45-24/25
포장분류: II
위험 등급: 8
F 고인화성물질: 21
위험 참고 사항: Corrosive
Hazard Classifications: Eye Dam. 1Skin Corr. 1B
스토리지 클래스: 8A - Combustible corrosive hazardous materials

화학 및 산업

응용 분야 · 2건

용도Pentafluorobenzenesulfonyl chloride is used as derivatizing reagent for simultaneous determination of fluoxetine and p-trifluoromethylphenol, an O-dealkylated metabolite of fluoxetine in human liver microsomes. It is also used for electrophore labeling of small tyrosyl peptides for their analysis by gas chromatography with electron-capture detection. It is also employed as derivatizing reagent for amphetamine in determination of amphetamine in human plasma samples using gas chromatography with electron-capture detection.

일반 설명Pentafluorobenzenesulfonyl chloride reacts with benzene and thiophene derivatives in the presence of a ruthenium (II) catalyst to form corresponding perfluorophenylated compounds.