Perfluoro-1-butanesulfonyl fluoride (HCID 67814)

이름 및 식별자

우선 이름: Perfluoro-1-butanesulfonyl fluoride
IUPAC: 1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonyl fluoride
현지명: 1,1,2,2,3,3,4,4,4-노나플로로부탄-1-술포닐 플로라이드
영어명: Nonafluorobutanesulfonyl fluoride
분자식: C4F10O2S
분자량: 302.09

이름 및 동의어

375-72-4Perfluorobutanesulfonyl fluoridePerfluoro-1-butanesulfonyl fluorideNonafluoro-1-butanesulfonyl fluorideperfluorobutane-1-sulphonyl fluoride1-Butanesulfonyl fluoride, 1,1,2,2,3,3,4,4,4-nonafluoro-WC4FPA9BCMDTXSID20861913n-Nonafluorobutanesulfonyl fluoride1,1,2,2,3,3,4,4,4-Nonafluoro-1-butanesulfonyl fluorideEINECS 206-792-61,1,2,2,3,3,4,4,4-Nonafluorobutane-1-sulphonyl fluoride

이름 더 보기

1,1,2,2,3,3,4,4,4-노나플로로부탄-1-술포닐플로라이드PBSFFC-4Perfluoro n-butylsulfonyl fluorideNonaflylfluorideFX-450KGS/DRUM

EC 206-792-61,1,2,2,3,3,4,4,4-Nonafluorobutan-1-sulfonyl fluorideRefChem:860215DTXCID80810765Nonafluorobutanesulfonyl fluoride1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonyl fluoridenonafluorobutane-1-sulfonyl fluorideMFCD00007422

데이터베이스 식별자

CAS: 375-72-4
PubChem CID: 67814
DTXSID: DTXSID20861913
UNII: WC4FPA9BCM
EC Number: 206-792-6
Nikkaji: J213.577I

물성

구조 계산 물성

XLogP: 3.4
극성 표면적: 42.5 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 12
회전 가능 결합 수: 3
무거운 원자 수: 17
형식 전하: 0
복잡도: 386

실험 및 물리화학적 성질

PFAS · 6건

PFAS -> Other/unspecified

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

PFAS -> OECD Category

PFAS -> PFAS identified in REACH Regulation EC No. 1272/2008

PFAS -> Other/unspecified

PFAS

물리화학적 성질

녹는점: -110 °C · -110°C
끓는 점: 64 °C · 64 °C (lit.)
밀도: 1.682 g/mL · 1.682 g/mL at 25 °C (lit.)
증기압: 16.665 kPa · 16.665kPa at 20℃
굴절률: 20 · n20/D 1.3(lit.)
인화점: 65 · 65-66°C
저장 조건: -20 °C · Keep in dark place,Sealed in dry,Store in freezer, under -20°C
용해도: 클로로포름(소량으로 용해), 메탄올(소량으로 용해)
물리적 상태: 액체
색상: 무색~황색
Specific Gravity: 1.682 · 1.682
수용성: 물에서 가수분해됩니다.
BRN: 1813589 · 1813589
안정성: 흡습성
InChI: 1S/C4F10O2S/c5-1(6,3(9,10)11)2(7,8)4(12,13)17(14,15)16
InChIKey: LUYQYZLEHLTPBH-UHFFFAOYSA-N
SMILES: FC(F)(F)C(F)(F)C(F)(F)C(F)(F)S(F)(=O)=O
NIST: Nonafluorobutanesulfonyl fluoride(375-72-4)
EPA: 1 · 1-Butanesulfonyl fluoride, 1,1,2,2,3,3,4,4,4-nonafluoro- (375-72-4)

화학적 성질

Nonafluorobutanesulfonyl fluoride is a colorless, volatile liquid that is immiscible with water but soluble in common organic solvents. It is prepared by the electrochemical fluorination of sulfolane.

안전 및 규제

GHS 분류

GHS Classification · 6건

This chemical does not meet GHS hazard criteria for 22.8% (38 of 167) of reports.

Danger

H314 (76.6%): 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 167 reports by companies from 14 notifications to the ECHA C&L Inventory.

Warning

유해성 정보

Regulatory Information · 3건

Chemical: 1-Butanesulfonyl fluoride, 1,1,2,2,3,3,4,4,4-nonafluoro-

1-Butanesulfonyl fluoride, 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-Butanesulfonyl fluoride, 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)

Status: Active Update: 12-05-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/10698

Other Safety InformationIMAP assessments - Perfluorobutanesulfonic acid and its direct precursors: Environment tier II assessment

Hazard Classes and Categories · 2건

Skin Corr. 1B (76.6%)

Eye irritation - category 2A

안전 데이터

wgk: 3
tsca: TSCA listed
ridadr: UN 3265 8/PG 2
HS 번호: 29049090
risk_code: 34
hazard_code: C
safety_code: 26-36/37/39-45-25
포장분류: II
위험 등급: 8
기존화학 물질: 2015-3-7006
F 고인화성물질: 10-21
위험 참고 사항: Corrosive
Hazard Classifications: Skin Corr. 1B
스토리지 클래스: 8A - Combustible corrosive hazardous materials

화학 및 산업

용도 및 제조

U.S. Production2023: <75,000 lb

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

General Manufacturing Information1-Butanesulfonyl fluoride, 1,1,2,2,3,3,4,4,4-nonafluoro-: ACTIVE

응용 분야 · 2건

용도Benzynes were generated from o-(trimethylsilyl) phenols using nonafluorobutanesulfonyl fluoride (NfF) by a domino process.Nonafluorobutanesulfonyl fluoride (nonaflyl fluoride, C 4 F 9 SO 2 F, NfF) is the most widely used commercially available reagent for the synthesis of nonaflates.

용도Nonafluorobutanesulfonyl fluoride (NfF, NBSF, PBSF) can be used as a general-purpose diazotransfer reagent with high efficiency, wide substrate range, good shelf stability, relatively low cost, and easy purification. It is a favourable alternative to other commonly used diazotransfer reagents[1]. In addition, Nonafluorobutanesulfonyl fluoride was used in the formation of a new dehydrated glycosylation scheme. In contrast to the main classical glycosylation reactions, this scheme glycosylation reaction is carried out under mildly alkaline conditions. In the absence of an external acceptor, the glycosyl hemiacetal undergoes self-condensation, providing the corresponding symmetric 1,1'- disaccharide in high yield[2].