Potassium trifluoro((((4-methoxyphenyl)methoxy)methyl))boranuide
기본 정보
- CAS
1027642-26-7- 표준 SMILES
COc1ccc(COC[B-](F)(F)F)cc1.[K+]- InChIKey
HWHMOMQODHUMRW-UHFFFAOYSA-N- 분자식
- C9H11BF3KO2
- 평균 분자량
- 258.09 g/mol
- 단동위원소 질량
- 258.0441257
이름 및 식별자
- 우선 이름
- Potassium trifluoro((((4-methoxyphenyl)methoxy)methyl))boranuide
- IUPAC
- potassium trifluoro-[(4-methoxyphenyl)methoxymethyl]boranuide
- 영어명
- Potassium (4-methoxy)benzyloxymethyltrifluoroborate
- 분자식
- C9H11BF3KO2
- 분자량
- 258.0869496
이름 및 동의어
POTASSIUM TRIFLUORO({[(4-METHOXYPHENYL)METHOXY]METHYL})BORANUIDEPotassium trifluoro((((4-methoxyphenyl)methoxy)methyl))boranuideRefChem:868072802-414-41027642-26-7POTASSIUM (4-METHOXY)BENZYLOXYMETHYLTRIFLUOROBORATEPotassium trifluoro(((4-methoxybenzyl)oxy)methyl)borateMFCD11505925potassium;trifluoro-[(4-methoxyphenyl)methoxymethyl]boranuideBorate(1-), trifluoro[[(4-methoxyphenyl)methoxy]methyl]-, potassium (1:1), (T-4)-Potassium 4'-methoxybenzyloxymethyltrifluoroborateMLS002705548
이름 더 보기
trifluoro-[(4-methoxyphenyl)methoxymethyl]boranuide(4-METHOXY)BENZYLOXYMETHYLTRIFLUOROBORATE POTASSIUM SALTPotassium [(4-methoxybenzyloxy)methyl]trifluoroborate 97%potassium trifluoro(methoxy(4-methoxyphenyl)methyl)boratepotassium:trifluoro-[(4-methoxyphenyl)methoxymethyl]boranuidePotassium (4-methoxy)benzyloxymethyltrifluoroborate ISO 9001：2015 REACHBorate(1-), trifluoro[[(4-methoxyphenyl)methoxy]methyl]-, potassium (1:1), (T...
DTXSID00677155AKOS013015599AS-79969SMR001572177SY068100CS-0159034H12029Potassium Trifluoro[[(4-methoxybenzyl)oxy]methyl]borate
데이터베이스 식별자
- CAS
1027642-26-7- PubChem CID
- 46902164
- DTXSID
DTXSID00677155- ChEMBL
CHEMBL2131378- EC Number
- 802-414-4
물성
구조 계산 물성
- 극성 표면적
- 18.5 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 6
- 회전 가능 결합 수
- 4
- 무거운 원자 수
- 16
- 형식 전하
- 0
- 복잡도
- 184
물리화학적 성질
- 녹는점
- 203 · 203-213°C
- 저장 조건
- Store at room temperature, keep dry and cool
- 물리적 상태
- solid
- InChI
- 1S/C9H11BF3O2.K/c1-14-9-4-2-8(3-5-9)6-15-7-10(11,12)13;/h2-5H,6-7H2,1H3;/q-1;+1
- InChIKey
- HWHMOMQODHUMRW-UHFFFAOYSA-N
- SMILES
- [K+].COc1ccc(COC[B-](F)(F)F)cc1
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
Warning
H315 (100%): 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 40 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 Irrit. 2 (100%)
안전 데이터
- wgk
- 3
- HS 번호
- 2931900090
- risk_code
- 36/37/38
- hazard_code
- Xi
- safety_code
- 26
- Hazard Classifications
- Eye Irrit. 2Skin Irrit. 2STOT SE 3
- 스토리지 클래스
- 11 - Combustible Solids
화학 및 산업
응용 분야
용도Alkoxymethyltrifluoroborate undergoes palladium-catalyzed carbon-carbon bond formation (Suzuki-Miyuara reaction) with aryl chlorides to provide a non-traditional disconnection for the preparation of aryl- and heteroaryl ethers.
관련 반응
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