Perfluorobutane sulfonamide
기본 정보
- CAS
30334-69-1- 표준 SMILES
NS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F- InChIKey
FUVKFLJWBHVMHX-UHFFFAOYSA-N- 분자식
- C4F9SO2NH2
- 평균 분자량
- 299.12 g/mol
- 단동위원소 질량
- 298.96625294
이름 및 식별자
- 우선 이름
- Perfluorobutane sulfonamide
- IUPAC
- 1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonamide
- 영어명
- 1,1,2,2,3,3,4,4,4-Nonafluoro-butane-1-sulfonic acid amide
- 분자식
- C4H2F9NO2S
- 분자량
- 299.11
이름 및 동의어
Perfluorobutylsulphonamideperfluorobutanesulfonamideperfluorobutane sulfonamidenonafluorobutanesulfonamideN-NonafluorobutanesulfonamideG4V6K37HVR1,1,2,2,3,3,4,4,4-Nonafluoro-1-butanesulfonamideDTXSID308802511,1,2,2,3,3,4,4,4-Nonafluoro-N-butanesulfonamide1-Butanesulfonamide, 1,1,2,2,3,3,4,4,4-nonafluoro-RefChem:860235DTXCID101021836
이름 더 보기
Perfluorobutyl Huangamideperfluoro-n-butanesulfonamidePerfluorobutylsulphonamide 97%Nonafluoro-Butane-1-sulfonic Acid Amiden-Perfluorobutanesulfonamide in methanol1,1,2,2,3,3,4,4,4-Nonafluorobutanesulfonamide
816-392-930334-69-11,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonamidePerfluorobutylsulfonamideNONAFLUOROBUTANE-1-SULFONAMIDEMFCD11112029FBSA1,1,2,2,3,3,4,4,4-Nonafluoro-butane-1-sulfonic acid amide
데이터베이스 식별자
- CAS
30334-69-1- PubChem CID
- 10958205
- DTXSID
DTXSID30880251- ChEMBL
CHEMBL1076850- UNII
- G4V6K37HVR
- EC Number
- 816-392-9
- Nikkaji
- J755.099E
물성
구조 계산 물성
- XLogP
- 2.2
- 극성 표면적
- 68.5 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 12
- 회전 가능 결합 수
- 3
- 무거운 원자 수
- 17
- 형식 전하
- 0
- 복잡도
- 390
실험 및 물리화학적 성질
PFAS
PFAS -> Perfluoroalkylsulfonamides
PFAS -> Perfluoroalkane sulfonyl fluoride (PASF)-based substances
PFAS -> OECD Category
PFAS -> non-polymer
PFAS (perfluorobutane sulfonamide, n=4)
PFAS -> Other/unspecified
Physical DescriptionCBI
Collision Cross Section135.0 Ų [M-H]- [CCS Type: DT; Buffer gas: N2; Ionization: ESI-; Dataset: PFAS]
물리화학적 성질
- 녹는점
- 67.5 °C · 67.5 °C(Solv: ethanol (64-17-5); water (7732-18-5))
- 끓는 점
- 162.7 · 162.7±50.0 °C(Predicted)
- 밀도
- 1.775 · 1.775±0.06 g/cm3(Predicted)
- 저장 조건
- -20 °C · Hygroscopic, -20°C Freezer, Under inert atmosphere
- 용해도
- 아세톤(약간 용해됨), 메탄올(약간 용해됨)
- 물리적 상태
- 고체
- 산도 계수 (pKa)
- 6.48 · 6.48±0.60(Predicted)
- 색상
- 흰색에서 황백색까지
- 안정성
- 흡습성
- InChI
- InChI=1S/C4H2F9NO2S/c5-1(6,3(9,10)11)2(7,8)4(12,13)17(14,15)16/h(H2,14,15,16)
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
Warning
H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
유해성 정보
Regulatory Information
1-Butanesulfonamide, 1,1,2,2,3,3,4,4,4-nonafluoro- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 1-Butanesulfonamide, 1,1,2,2,3,3,4,4,4-nonafluoro- are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)
PMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.
Hazard Classes and CategoriesAcute Tox. 4 (50%)
안전 데이터
- tsca
- TSCA listed
- HS 번호
- 2935909099
화학 및 산업
용도 및 제조
Uses
non-polymer PFAS -> Semiconductor Industry -> Etching the SiO2 coating of the semiconductor device
• Buffered acid etch solutions in semiconductor manufacturing [Ref: CAS2019 (US20040089840)]
U.S. Production2023: <50,000 lb
Industry UsesIntermediate
Use Classification
PFAS (per- and polyfluoroalkyl substances) -> OECD Category
PFAS (perfluorobutane sulfonamide, n=4)
PFAS -> PFalkylsulfonamides (FASA)
General Manufacturing Information
All Other Basic Organic Chemical Manufacturing
1-Butanesulfonamide, 1,1,2,2,3,3,4,4,4-nonafluoro-: ACTIVE
관련 반응
3건
화합물 노트
불러오는 중…