N-(메틸)노나플루오로부탄술폰아미드

1,1,2,2,3,3,4,4,4-nonafluoro-N-methylbutane-1-sulfonamide

HCID 109968CAS 68298-12-4

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: CNS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIKey: GFZPUWKGPNHWHD-UHFFFAOYSA-N
분자식: C4F9SO2NHCH3
평균 분자량: 313.14 g/mol
단동위원소 질량: 312.98190335

이름 및 식별자

우선 이름: 1,1,2,2,3,3,4,4,4-nonafluoro-N-methylbutane-1-sulfonamide
IUPAC: 1,1,2,2,3,3,4,4,4-nonafluoro-N-methylbutane-1-sulfonamide
현지명: N-(메틸)노나플루오로부탄술폰아미드
영어명: N-(Methyl)nonafluorobutanesulfonamide
분자식: C5H4F9NO2S
분자량: 313.14

이름 및 동의어

N-Methylperfluorobutanesulfonamide1-Butanesulfonamide, 1,1,2,2,3,3,4,4,4-nonafluoro-N-methyl-1,1,2,2,3,3,4,4,4-nonafluoro-N-methylbutane-1-sulfonamideRefChem:409537614-396-368298-12-4N-(Methyl)nonafluorobutanesulfonamideMeFBSA1,1,2,2,3,3,4,4,4-Nonafluoro-N-methyl-1-butanesulfonamideMFCD19707291C5H4F9NO2SPFBSAm-Me

이름 더 보기

N-(메틸)노나플루오로부탄술폰아미드N-Methyl-1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonamideN-Methyl-1,1,2,2,3,3,4,4,4-nonafluoro-1-butanesulfonamide

C4F9SO2NHCH3SCHEMBL155471SCHEMBL394730DTXSID1071373methyl perfluorobutane sulfonamideN-MethylnonafluorobutanesulfonamideFM83533NS00011240

데이터베이스 식별자

CAS: 68298-12-4
PubChem CID: 109968
DTXSID: DTXSID1071373
EC Number: 614-396-3
Nikkaji: J429.789J

물성

구조 계산 물성

XLogP: 2.6
극성 표면적: 54.6 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 12
회전 가능 결합 수: 4
무거운 원자 수: 18
형식 전하: 0
복잡도: 406

실험 및 물리화학적 성질

PFAS · 6건

PFAS -> Perfluoroalkylsulfonamides

PFAS -> PFalkylsulfonamides (FASA)

PFAS -> non-polymer

PFAS -> OECD Category

PFAS -> Other/unspecified

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

Physical DescriptionCBI

Collision Cross Section138.9 Å² [M-H]- [CCS Type: DT; Buffer gas: N2; Ionization: ESI-; Dataset: PFAS]

물리화학적 성질

녹는점: 33 · 33-38°C
끓는 점: 215 ℃ · 215℃ at 101.325kPa
밀도: 1.646 · 1.646±0.06 g/cm3(Predicted)
증기압: 1.333 · 1.333-2.533Pa at 20-25℃
저장 조건: Refrigerator
용해도: DMSO(약간 용해됨), 메탄올(약간 용해됨)
물리적 상태: 고체
산도 계수 (pKa): 7.58 · 7.58±0.40(Predicted)
색상: 황백색에서 연한 노란색
LogP: 3.59 · 3.59
EPA: 1 · 1-Butanesulfonamide, 1,1,2,2,3,3,4,4,4-nonafluoro-N-methyl- (68298-12-4)

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

H301 (36.8%): Toxic if swallowed [Danger Acute toxicity, oral]

P203, P264, P264+P265, P270, P273, P280, P301+P316, P301+P317, P305+P351+P338, P318, P321, P330, P337+P317, P391, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 38 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Regulatory Information · 2건

1-Butanesulfonamide, 1,1,2,2,3,3,4,4,4-nonafluoro-N-methyl- 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-N-methyl- 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)

Status: Cease Manufacture Update: 30-03-2021 https://echa.europa.eu/registration-dossier/-/registered-dossier/32215

Hazard Classes and CategoriesAcute Tox. 3 (36.8%)

안전 데이터

tsca: TSCA listed
HS 번호: 2935909099

화학 및 산업

용도 및 제조

Uses · 2건

• Surfactants for inks, paints, waxes [Ref: Norwegian Environment Agency. 2017. Investigation of Sources of PFBS into the Environment (M-759).]

non-polymer PFAS -> Printing (Inks) -> Toner and printer inks

U.S. Production2023: 50,000 - <250,000 lb

Industry UsesIntermediate

Use Classification · 2건

PFAS (per- and polyfluoroalkyl substances) -> OECD Category

PFAS -> PFalkylsulfonamides (FASA)

General Manufacturing Information · 2건

All Other Basic Organic Chemical Manufacturing

1-Butanesulfonamide, 1,1,2,2,3,3,4,4,4-nonafluoro-N-methyl-: ACTIVE

응용 분야

용도1,1,2,2,3,3,4,4,4-Nonafluoro-N-methyl-1-butanesulfonamide is derived from Nonafluoro-1-butanesulfonyl Fluoride (N649320), which is a useful perfluorinated compound (PFC) used in organic synthesis.