HRID 1325688촉매로High-throughput exploration of 50,688 Pd-, Ni- and Cu-catalysed C–N coupling reactions
1,3-디사이클로헥실-이미다졸륨테트라플루오로보레이트
1,3-Dicyclohexyl-1H-imidazol-3-ium tetrafluoroborate
기본 정보
- CAS
286014-38-8- 표준 SMILES
F[B-](F)(F)F.c1c[n+](C2CCCCC2)cn1C1CCCCC1- InChIKey
CQHXJIHJFMBBQA-UHFFFAOYSA-N- 분자식
- C15H25BF4N2
- 평균 분자량
- 320.18 g/mol
- 단동위원소 질량
- 320.2046916
이름 및 식별자
- 우선 이름
- 1,3-Dicyclohexyl-1H-imidazol-3-ium tetrafluoroborate
- IUPAC
- 1,3-dicyclohexylimidazol-1-ium tetrafluoroborate
- 현지명
- 1,3-디사이클로헥실-이미다졸륨테트라플루오로보레이트
- 영어명
- 1,3-Dicyclohexyl-imidazolium tetrafluoroborate
- 분자식
- C15H25BF4N2
- 분자량
- 320.18
이름 및 동의어
286014-38-81,3-Dicyclohexyl-1H-imidazol-3-ium tetrafluoroborateDTXSID40584798RefChem:218459DTXCID40535563626-286-21,3-Dicyclohexylimidazolium Tetrafluoroborate1,3-Dicyclohexylimidazolium tetrafluoroborate saltMFCD049733101,3-dicyclohexylimidazol-1-ium;tetrafluoroborate1,3-DICYCLOHEXYL-IMIDAZOLIUM TETRAFLUOROBORATE1H-Imidazolium, 1,3-dicyclohexyl-, tetrafluoroborate(1-) (1:1)
이름 더 보기
1,3-디사이클로헥실-이미다졸륨테트라플루오로보레이트ICyBF41,3-Bis(cyclohexyl)imidazolium tetrafluoroborate1,3-Dicyclohexyl imidazole tetrafluoroborateN,N'-Dicyclohexylimidazolium tetrafluoroborate1,3-DicyclohexylimidazoliumTetrafluoroborate>1,3-Dicyclohexyl-3-imidazolium Tetrafluoroborate1,3-Dicyclohexyl-1H-imidazolium Tetrafluoroborate
SCHEMBL5843771,3-Dicyclohexylimidazoliumtetrafluoroboratesalt1,3-dicyclohexylimidazoliumtetrafluoroborateD38501,3-Dicyclohexyl-3-imidazoliC15H25BF4N2CQHXJIHJFMBBQA-UHFFFAOYSA-NAKOS015832937
데이터베이스 식별자
- CAS
286014-38-8- PubChem CID
- 16218169
- DTXSID
DTXSID40584798- EC Number
- 626-286-2
물성
구조 계산 물성
- 극성 표면적
- 8.8 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 5
- 회전 가능 결합 수
- 2
- 무거운 원자 수
- 22
- 형식 전하
- 0
- 복잡도
- 224
물리화학적 성질
- 녹는점
- 171 · 171-175 °C
- 저장 조건
- Inert atmosphere,Room Temperature
- 용해도
- 메탄올에 용해됨
- 물리적 상태
- 고체
- 색상
- 흰색에서 크림색
- 안정성
- 흡습성
- InChI
- 1S/C15H25N2.BF4/c1-3-7-14(8-4-1)16-11-12-17(13-16)15-9-5-2-6-10-15;2-1(3,4)5/h11-15H,1-10H2;/q+1;-1
- InChIKey
- CQHXJIHJFMBBQA-UHFFFAOYSA-N
- SMILES
- F[B-](F)(F)F.C1CCC(CC1)n2cc[n+](c2)C3CCCCC3
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
Warning
H315 (97.7%): 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 43 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
유해성 정보
Hazard Classes and CategoriesSkin Irrit. 2 (97.7%)
안전 데이터
- wgk
- 3
- ridadr
- 1759
- HS 번호
- 2933.29.9000
- risk_code
- 36/37/38
- hazard_code
- Xi
- safety_code
- 26-36
- 포장분류
- III
- 위험 등급
- 8
- Hazard Classifications
- Eye Irrit. 2Skin Irrit. 2STOT SE 3
- 스토리지 클래스
- 11 - Combustible Solids
관련 반응
140건
HRID 1325689촉매로High-throughput exploration of 50,688 Pd-, Ni- and Cu-catalysed C–N coupling reactions
HRID 1325690촉매로High-throughput exploration of 50,688 Pd-, Ni- and Cu-catalysed C–N coupling reactions
HRID 1325691촉매로High-throughput exploration of 50,688 Pd-, Ni- and Cu-catalysed C–N coupling reactions
HRID 1325692촉매로High-throughput exploration of 50,688 Pd-, Ni- and Cu-catalysed C–N coupling reactions
HRID 1325693촉매로High-throughput exploration of 50,688 Pd-, Ni- and Cu-catalysed C–N coupling reactions
HRID 1325694촉매로High-throughput exploration of 50,688 Pd-, Ni- and Cu-catalysed C–N coupling reactions
HRID 1325695촉매로High-throughput exploration of 50,688 Pd-, Ni- and Cu-catalysed C–N coupling reactions
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