CAS 375-72-4 Perfluoro-1-butanesulfonyl fluoride (HCID 67814)

名称と識別子

優先名称: Perfluoro-1-butanesulfonyl fluoride
IUPAC: 1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonyl fluoride
現地名: ペルフルオロブタンスルホニルフルオリド
英語名: Nonafluorobutanesulfonyl fluoride
分子式: C4F10O2S
分子量: 302.09

名称と別名

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

名称をさらに表示

ペルフルオロブタンスルホニルフルオリド1,1,2,2,3,3,4,4,4-ノナフルオロブタン-1-スルホニルフルオリドノナフルオロ-1-ブタンスルホン酸フルオリドノナフルオロブタン-1-スルホン酸フルオリドノナフルオロブタン-1-スルホニルフルオリド1,1,2,2,3,3,4,4,4-ノナフルオロブタン-1-スルホン酸フルオリドペルフルオロ-1-ブタンスルホニルフロライドパーフルオロ-1-ブタンスルホニルフロリドペルフルオロ-1-ブタンスルホニルフルオリドノナフルオロ-1-ブタンスルホニルフルオリド1，1，2，2，3，3，4，4，4-ノナフルオロブタン-1-スルホニル＝フルオリドパーフルオロ‐1‐ブタンスルホニルフロリドパーフルオロブタンスルホニルフルオリドノナフルオロ-1-ブタンスルホニル=フルオリドノナフルオロブタンスルホニルフルオリドパーフルオロ-1-ブタンスルホニルフルオリドパーフルオロ-1-ブタンスルホニルフルオライドノナフルオロブタン-1-スルホニルフルオリド(ノナフルオロブチル)フルオロスルホンPBSFFC-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

データベース識別子

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

物性

構造計算による物性

XLogP: 3.4
極性表面積: 42.5 Å²
水素結合供与体数: 0
水素結合受容体数: 12
回転可能結合数: 3
重原子数: 17
形式電荷: 0
複雑度: 386

実験および物理化学的性質

PFAS · 6 件

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

物理化学的性質

融点: -110 °C · -110°C
沸点: 64 °C · 64 °C (lit.)
比重(密度): 1.682 g/mL · 1.682 g/mL at 25 °C (lit.)
蒸気圧: 16.665 kPa · 16.665kPa at 20℃
屈折率: 20 · n20/D 1.3(lit.)
闪点: 65 · 65-66°C
貯蔵温度: -20 °C · Keep in dark place,Sealed in dry,Store in freezer, under -20°C
溶解性: Chloroform (Sparingly), Methanol (Sparingly)
外見: 液体
色: 無色～黄色
比重: 1.682 · 1.682
水溶解度: 水中で加水分解します。
BRN: 1813589 · 1813589
安定性: Hygroscopic
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
CAS データベース: 375 · 375-72-4(CAS DataBase Reference)
NISTの化学物質情報: Nonafluorobutanesulfonyl fluoride(375-72-4)
EPAの化学物質情報: 1 · 1-Butanesulfonyl fluoride, 1,1,2,2,3,3,4,4,4-nonafluoro- (375-72-4)

化学的性質

化学的特性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.

安全と法規制

GHS分類

GHS Classification · 6 件

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

危険有害性情報

Regulatory Information · 3 件

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 · 2 件

Skin Corr. 1B (76.6%)

Eye irritation - category 2A

安全データ

F: 10-21
wgk: 3
tsca: TSCA listed
ridadr: UN 3265 8/PG 2
hs_code: 29049090
risk_code: 34
hazard_code: C
hazard_note: Corrosive
safety_code: 26-36/37/39-45-25
hazard_class: 8
packing_group: II
Hazard Classifications: Skin Corr. 1B
ストレージクラス: 8A - Combustible corrosive hazardous materials

化学と産業

用途と製造

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

応用分野 · 2 件

使用Benzynes 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.

使用Nonafluorobutanesulfonyl 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].