Methanesulfonic acid, 1,1,1-trifluoro-, anhydride with B,B-dibutylborinic acid (HCID 2724243)

이름 및 식별자

우선 이름: Methanesulfonic acid, 1,1,1-trifluoro-, anhydride with B,B-dibutylborinic acid
IUPAC: dibutylboranyl trifluoromethanesulfonate
영어명: Dibutylboron trifluoromethanesulfonate
분자식: C9H18BF3O3S
분자량: 274.11

이름 및 동의어

60669-69-4RefChem:811498Methanesulfonic acid, 1,1,1-trifluoro-, anhydride with B,B-dibutylborinic acid612-008-7dibutylboranyl trifluoromethanesulfonateDibutylboron trifluoromethanesulfonateDIBUTYLBORYL TRIFLUOROMETHANESULFONATEDibutylboron triflateC9H18BF3O3SDibutylboron triflate; Dibutylboron trifluoromethanesulfonate; Dibutylboryl triflateDibutylboryl trifluoromethanesulfonate - 1M dichloromethane solutionnBu2BOTf

이름 더 보기

dibutylboryl triflateDibutylboryl trifluoromethanesulfonate solutiondibutylboron triflate solutionDi-Butyl Boron Triflate (1.0M in Toluene)Dibutylboron trifluoromethanesulfonate,98%

Bu2BOTf(n-Bu)2BOTfDibutyl(((trifluoromethyl)sulfonyl)oxy)boraneSCHEMBL408053DTXSID20369121BP-20540AMFCD00009669AKOS015915614

데이터베이스 식별자

CAS: 60669-69-4
PubChem CID: 2724243
DTXSID: DTXSID20369121
EC Number: 612-008-7
Nikkaji: J274.160A

물성

구조 계산 물성

극성 표면적: 51.8 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 6
회전 가능 결합 수: 8
무거운 원자 수: 17
형식 전하: 0
복잡도: 290

실험 및 물리화학적 성질

Density0.815 @25 °C

물리화학적 성질

끓는 점: 37 ℃ · 37℃ (0.12 Torr)
밀도: 1.271 g/mL · 1.271 g/mL at 25 °C
인화점: 80 °F · 80 °F
저장 조건: 2 · 2-8°C
물리적 상태: 액체
색상: 맑은 연한 노란색에서 주황색까지
BRN: 1968660 · 1968660
InChI: InChI=1S/C9H18BF3O3S/c1-3-5-7-10(8-6-4-2)16-17(14,15)9(11,12)13/h3-8H2,1-2H3
InChIKey: FAVAVMFXAKZTMV-UHFFFAOYSA-N
SMILES: B(CCCC)(CCCC)OS(=O)(=O)C(F)(F)F

화학적 성질

clear light yellow to orange solution

안전 및 규제

GHS 분류

GHS Classification · 5건

Danger

H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]；H318 (73.6%): Causes serious eye damage [Danger Serious eye damage/eye irritation]

P260, P264, P264+P265, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P363, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 144 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

유해성 정보

Hazard Classes and CategoriesSkin Corr. 1B (100%)；Eye Dam. 1 (73.6%)

안전 및 보호

Protective Action Criteria (PAC) · 3건

36 [mg/m3]

400 [mg/m3]

2400 [mg/m3]

안전 데이터

wgk: 3
ridadr: UN 2924 3/PG 1
HS 번호: 29310099
risk_code: 12-22-34-66-67-40-10-37-65-48/20-11-63-19
hazard_code: C,F+,F
safety_code: 9-16-26-33-36/37/39-45-62
포장분류: III
위험 등급: 3.2
F 고인화성물질: 1-10
Hazard Classifications: Carc. 2Eye Dam. 1Flam. Liq. 3Skin Corr. 1BSTOT SE 3
스토리지 클래스: 3 - Flammable liquids

화학 및 산업

응용 분야 · 2건

용도Dibutylboryl trifluoromethanesulfonate may be used in the following studies:Stereo- and regio-selective synthesis of erythro aldols. As a promoter for the solution and polymer-supported trichloroacetimidate-based glycosylations.Synthesis of β-alkoxy carbonyl compounds via one-step Mukaiyama aldol-type reaction.Aldol-type cyclization for the stereoselective synthesis of cyclic ethers.As a reagent for the formation of boron enolates. As a complexation aid for the isolation of 1-acyldipyrromethanes.As a promoter in [1,2]-Wittig reaction between aldehydes and O-benzyl or O-allyl glycolate esters, creating two contiguous stereocenters (1,2-diol) in good yield without the need for strong base.

일반 설명Dibutylboryl trifluoromethanesulfonate (Dibutylboron triflate, Bu2BOTf) is an organometallic reagent. It efficiently promotes the1,4-addition of benzylic and allylic organocopper reagents.