N-벤질헵타데카플루오로옥탄-1-술폰아미드

1-Octanesulfonamide, 1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluoro-N-(phenylmethyl)-

HCID 170860CAS 50598-29-3

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: O=S(=O)(NCc1ccccc1)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: GRXIBAUTCQPULC-UHFFFAOYSA-N
분자식: C15H8F17NO2S
평균 분자량: 589.27 g/mol
단동위원소 질량: 589.00042924

이름 및 식별자

우선 이름: 1-Octanesulfonamide, 1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluoro-N-(phenylmethyl)-
IUPAC: N-benzyl-1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctane-1-sulfonamide
현지명: N-벤질헵타데카플루오로옥탄-1-술폰아미드
영어명: N-benzylheptadecafluorooctane-1-sulphonamide
분자식: C15H8F17NO2S
분자량: 589.27

이름 및 동의어

N-Benzylheptadecafluorooctane-1-sulphonamide50598-29-31-Octanesulfonamide, 1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluoro-N-(phenylmethyl)-EINECS 256-640-8DTXSID20685571,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-Heptadecafluoro-N-(phenylmethyl)-1-octanesulfonamideRefChem:435164DTXCID3040857256-640-8N-benzyl-1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctane-1-sulfonamideSCHEMBL5377412N-Benzylperfluorooctanesulfonamide

이름 더 보기

N-벤질헵타데카플루오로옥탄-1-술폰아미드N-Benzylheptadecafluorooctane-1-sulfonamide

DB-255634NS00011331

데이터베이스 식별자

CAS: 50598-29-3
PubChem CID: 170860
DTXSID: DTXSID2068557
EC Number: 256-640-8
Nikkaji: J261.549E

물성

구조 계산 물성

XLogP: 7.6
극성 표면적: 54.6 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 20
회전 가능 결합 수: 10
무거운 원자 수: 36
형식 전하: 0
복잡도: 885

실험 및 물리화학적 성질

PFAS · 5건

PFAS -> Other/unspecified

PFAS -> OECD Category

PFAS -> Perfluoroalkane sulfonyl fluoride (PASF)-based substances

물리화학적 성질

끓는 점: 343.6 · 343.6±52.0 °C(Predicted)
밀도: 1.633 · 1.633±0.06 g/cm3(Predicted)
산도 계수 (pKa): 7.81 · 7.81±0.40(Predicted)
EPA: 1 · 1-Octanesulfonamide, 1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluoro-N-(phenylmethyl)- (50598-29-3)

안전 및 규제

유해성 정보

Regulatory InformationS - indicates a substance that is identified in a final Significant New Use Rule.

안전 데이터

tsca: TSCA listed

화학 및 산업

용도 및 제조

Uses• Aqueous mixture preventing the burning of very volatile hydrocarbons [Ref: CAS2019 (DE2315326)]

Use ClassificationPFAS (per- and polyfluoroalkyl substances) -> OECD Category

General Manufacturing Information1-Octanesulfonamide, 1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluoro-N-(phenylmethyl)-: INACTIVE

연결된 노트

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