디메틸(메틸티오)술포늄테트라플루오로보레이트
Dimethyl(methylthio)sulfonium Tetrafluoroborate
기본 정보
- CAS
5799-67-7- 표준 SMILES
CS[S+](C)C.F[B-](F)(F)F- InChIKey
LUOOXKXNWLQGLY-UHFFFAOYSA-N- 분자식
- C3H9BF4S2
- 평균 분자량
- 196 g/mol
- 단동위원소 질량
- 196.0174854
이름 및 식별자
- 우선 이름
- Dimethyl(methylthio)sulfonium Tetrafluoroborate
- IUPAC
- dimethyl(methylsulfanyl)sulfanium tetrafluoroborate
- 현지명
- 디메틸(메틸티오)술포늄테트라플루오로보레이트
- 영어명
- Dimethyl(methylthio)sulfonium tetrafluoroborate
- 분자식
- C3H9BF4S2
- 분자량
- 196.04
이름 및 동의어
5799-67-7Dimethyl(methylthio)sulfonium tetrafluoroborateDTXSID40371847RefChem:588403DTXCID50322880624-960-0DMTSF1,1,2-Trimethyldisulfan-1-ium tetrafluoroborateMFCD00011806dimethyl(methylsulfanyl)sulfanium;tetrafluoroborateTrimethyldisulphanium tetrafluoroborateC3H9BF4S2
이름 더 보기
디메틸(메틸티오)술포늄테트라플루오로보레이트dimethyl(methylsulfanyl)sulfaniumDimethyl(methylthio)sulfoniumtetrafluoro]Trimethyldisulphaniumtetrafluoroborate97%Trimethyldisulphanium tetrafluoroborate 97%DIMETHYL(METHYLTHIO)SULPHONIUM TETRAFLUOROBORATEDimethyl(methylthio)sulfoniumTetrafluoroborate>Dimethyl(methylthio)sulphoniumtetrafluoroborate97%
SCHEMBL985541LUOOXKXNWLQGLY-UHFFFAOYSA-NSBB091939AKOS015832930dimethylmethylthiosulfonium fluoroborateFD61294BS-44082SY112091
데이터베이스 식별자
- CAS
5799-67-7- PubChem CID
- 2737114
- DTXSID
DTXSID40371847- EC Number
- 624-960-0
물성
구조 계산 물성
- 극성 표면적
- 26.3 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 6
- 회전 가능 결합 수
- 1
- 무거운 원자 수
- 10
- 형식 전하
- 0
- 복잡도
- 38
물리화학적 성질
- 녹는점
- 89 · 89-92 °C (lit.)
- 저장 조건
- -20 °C · -20°C
- 용해도
- 2 · sol MeCN, MeNO2; insol in ether, pet ether; reacts with H2O and other protic solvents.
- 물리적 상태
- powder to crystal
- 색상
- 흰색에서 거의 흰색
- BRN
- 3572194 · 3572194
- InChI
- 1S/C3H9S2.BF4/c1-4-5(2)3;2-1(3,4)5/h1-3H3;/q+1;-1
- InChIKey
- LUOOXKXNWLQGLY-UHFFFAOYSA-N
- SMILES
- CS[S+](C)C.F[B-](F)(F)F
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
Danger
H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/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 41 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
유해성 정보
Hazard Classes and CategoriesSkin Corr. 1B (100%)
안전 데이터
- wgk
- 3
- ridadr
- UN 1759 8/PG 2
- HS 번호
- 2931900090
- risk_code
- 34
- hazard_code
- C,Xi
- safety_code
- 26-27-28-36/37/39-45
- 포장분류
- III
- 위험 등급
- 8
- 위험 참고 사항
- Irritant
- Hazard Classifications
- Eye Dam. 1Skin Corr. 1B
- 스토리지 클래스
- 8A - Combustible corrosive hazardous materials
화학 및 산업
응용 분야
용도Dimethyl(methylthio)sulfonium tetrafluoroborate can be used as an electrophilic sulfenylating agent, capable of reacting with nucleophilic atoms; reacting with electron-rich olefins to promote addition reactions, cyclization reactions; and activating dithioacetals, trithioorthoesters, and thioglycosides to undergo carbon-carbon or carbon-heteroatom bond formation reactions.
제조 방법
DMTSF can be conveniently prepared from Dimethyl Disulfide and Trimethyloxonium Tetrafluoroborate (Me3O+ BF4 -) in MeCN. Precipitation of the product results after addition of ether and isolation requires filtration under anhydrous conditions.
관련 반응
2건
화합물 노트
불러오는 중…