1-Butyl-2-(2-(3-((1-butyl-6-chlorobenz(c,d)indole-2-(1H)-ylidene)ethyli dene)-2-chloro-1-cyclohexen-1-yl)ethenyl)-6-chlorobenz(cd)indolium tetrafluoroborate
기본 정보
- CAS
155613-98-2- 표준 SMILES
CCCCn1/c(=C\C=C2/CCCC(/C=C/C3=[N+](CCCC)c4ccc(Cl)c5cccc3c45)=C2Cl)c2cccc3c(Cl)ccc1c32.F[B-](F)(F)F- InChIKey
IKZNCEDZIQWVNS-UHFFFAOYSA-N- 분자식
- C40H38BCl3F4N2
- 평균 분자량
- 739.9 g/mol
- 단동위원소 질량
- 738.212975
이름 및 식별자
- 우선 이름
- 1-Butyl-2-(2-(3-((1-butyl-6-chlorobenz(c,d)indole-2-(1H)-ylidene)ethyli dene)-2-chloro-1-cyclohexen-1-yl)ethenyl)-6-chlorobenz(cd)indolium tetrafluoroborate
- IUPAC
- (2Z)-1-butyl-2-[(2E)-2-[3-[(E)-2-(1-butyl-6-chlorobenzo[cd]indol-1-ium-2-yl)ethenyl]-2-chlorocyclohex-2-en-1-ylidene]ethylidene]-6-chlorobenzo[cd]indole tetrafluoroborate
- 영어명
- 1-Butyl-2-[2-[3-[(1-butyl-6-chlorobenz[cd]indol-2(1H)-ylidene)ethylidene]-2-chloro-1-cyclohexen-1-yl]ethenyl]-6-chlorobenz[cd]indolium tetrafluoroborate
- 분자식
- C40H38BCl3F4N2
- 분자량
- 739.91
이름 및 동의어
155613-98-21-Butyl-2-(2-(3-((1-butyl-6-chlorobenz(c,d)indole-2-(1H)-ylidene)ethyli dene)-2-chloro-1-cyclohexen-1-yl)ethenyl)-6-chlorobenz(cd)indolium tetrafluoroborate1-Butyl-2-(2-(3-((1-butyl-6-chlorobenz(c,d)indole-2-(1H)-ylidene)ethyli dene)-2-chloro-1-cyclohexen-1-yl)ethenyl)-6-chlorobenz[cd]indolium tetrafluoroborateRefChem:430990633-877-9IR-1048(2Z)-1-butyl-2-[(2E)-2-[3-[(E)-2-(1-butyl-6-chlorobenzo[cd]indol-1-ium-2-yl)ethenyl]-2-chlorocyclohex-2-en-1-ylidene]ethylidene]-6-chlorobenzo[cd]indole;tetrafluoroborate1-Butyl-2-[2-[3-[(1-butyl-6-chlorobenz[cd]indol-2(1H)-ylidene)ethylidene]-2-chloro-1-cyclohexen-1-yl]ethenyl]-6-chlorobenz[cd]indolium tetrafluoroborateSCHEMBL293547751-Butyl-2-[2-[3-[2-(1-butyl-6-chlorobenz[cd]indol-2(1H)-ylidene)ethylidene]-2-chloro-1-cyclohexen-1-yl]ethenyl]-6-chlorobenz[cd]indolium tetrafluoroborateIR-1048, Dye content 97 %AKOS025401875
이름 더 보기
IR-1048 Dye content 97 %
물성
구조 계산 물성
- 극성 표면적
- 6.3 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 6
- 회전 가능 결합 수
- 9
- 무거운 원자 수
- 50
- 형식 전하
- 0
- 복잡도
- 1,170
물리화학적 성질
- 녹는점
- 230 °C · 230 °C (dec.)(lit.)
- 저장 조건
- -20 °C · -20°C
- 물리적 상태
- Solid
- 색상
- Brown to black
- InChIKey
- IKZNCEDZIQWVNS-UHFFFAOYSA-N
- SMILES
- F[B-](F)(F)F.CCCCN1/C(=C\C=C2/CCCC(\C=C\C3=[N+](CCCC)c4ccc(Cl)c5cccc3c45)=C2Cl)c6cccc7c(Cl)ccc1c67
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 39 reports by companies from 2 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
- risk_code
- 36/37/38
- hazard_code
- Xi
- safety_code
- 26-36
- Hazard Classifications
- Eye Irrit. 2Skin Irrit. 2STOT SE 3
- 스토리지 클래스
- 11 - Combustible Solids
관련 반응
0건
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