기본 정보
- 표준 SMILES
F[B-](F)(F)F.c1ccc2[s+]csc2c1- InChIKey
CUSWPJQKCZMDPY-UHFFFAOYSA-N- 분자식
- C7H5BF4S2
- 평균 분자량
- 240.1 g/mol
- 단동위원소 질량
- 239.98618544
이름 및 식별자
- 우선 이름
- 1,3-Benzodithiolylium Tetrafluoroborate (Hydroxyl-Protecting Agent)
- IUPAC
- 1,3-benzodithiol-3-ium tetrafluoroborate
- 영어명
- 1,3-Benzodithiolylium tetrafluoroborate
- 분자식
- C7H5BF4S2
- 분자량
- 240.05
이름 및 동의어
이름 더 보기
데이터베이스 식별자
- CAS
57842-27-0- PubChem CID
- 2735971
- DTXSID
DTXSID70371057- EC Number
- 625-335-5
물성
구조 계산 물성
- 극성 표면적
- 56.5 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 6
- 회전 가능 결합 수
- 0
- 무거운 원자 수
- 14
- 형식 전하
- 0
- 복잡도
- 110
물리화학적 성질
- 녹는점
- 150 °C · 150 °C (dec.) (lit.)
- 저장 조건
- Inert atmosphere,Room Temperature
- 용해도
- sol MeCN and DMF (slowly reacts); insol ether.
- 물리적 상태
- 고체
- 색상
- 회색에서 갈색으로
- BRN
- 4731453 · 4731453
- InChI
- 1S/C7H5S2.BF4/c1-2-4-7-6(3-1)8-5-9-7;2-1(3,4)5/h1-5H;/q+1;-1
- InChIKey
- CUSWPJQKCZMDPY-UHFFFAOYSA-N
- SMILES
- F[B-](F)(F)F.c1ccc2[s+]csc2c1
안전 및 규제
GHS 분류
GHS Classification
Warning
H315 (97.6%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 41 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
유해성 정보
안전 데이터
- wgk
- 3
- ridadr
- 1759
- HS 번호
- 2934999090
- risk_code
- 36/37/38
- hazard_code
- Xi
- safety_code
- 26-36
- 포장분류
- III
- 위험 등급
- 8
- F 고인화성물질
- 8-10-21
- 위험 참고 사항
- Irritant
- Hazard Classifications
- Eye Irrit. 2Skin Irrit. 2STOT SE 3
- 스토리지 클래스
- 11 - Combustible Solids
화학 및 산업
응용 분야
용도1,3-Benzodithiolylium tetrafluoroborate may be used in the synthesis of the following:Dibenzotetrathiafulvalene by reacting with 1,8-diazabicyclo[5.4.0]undec-7-ene.Substituted arylcarbenium ions by reacting with boronic derivatives.α-(1,3-benzodithiol-2-ylidene) ketones and 1,3-benzodithiole by reacting with ketones.2-styryl-1,3-benzodithioles by reacting with styryl-type cobaloximes.2-(3-indolyl)-1,3-benzodithiolylium tetrafluoroborate by reacting with indole.2-(1,3-benzodithiol-2-ylidene)-3,5-cyclohexadien-1-ones and 4-(1,3-benzodithiol-2-ylidene)-2,5-cyclohexadien-1-ones by reacting with 2,4- and 2,6-disubstituted phenols.
일반 설명1,3-Benzodithiolylium tetrafluoroborate is a carbenium ionic compound. It has been synthesized by reacting 1,3-benzodithiole with trityl tetrafluoroborate. It is widely used as an α-alkylating agent for the enantioselective α-alkylation of aldehydes., The nature of adsorption of 1,3-benzodithiolylium tetrafluoroborate on various carbon nanotubes (CNTs) has been studied. 1,3-Benzodithiolylium tetrafluoroborate reacts with different nucleophilic reagents at the 2-position to form the respective 1,3-benzodithioles.
제조 방법
Preparative Method of 1,3-Benzodithiolylium tetrafluoroborate: treatment of 2-(3-methylbutoxy)-1,3-benzodithiole with Tetrafluoroboric Acid in Acetic Anhydride at 0 °C.
상·하류 제품 정보
상류 원료
하류 제품
공급사33 곳
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