IR-786 요오드화물
(2E)-2-[(2E)-2-[2-chloro-3-[(Z)-2-(1,3,3-trimethylindol-1-ium-2-yl)ethenyl]cyclohex-2-en-1-ylidene]ethylidene]-1,3,3-trimethylindole iodide
기본 정보
- CAS
56289-67-9- 표준 SMILES
CN1/C(=C/C=C2\CCCC(/C=C\C3=[N+](C)c4ccccc4C3(C)C)=C2Cl)C(C)(C)c2ccccc21.[I-]- InChIKey
UOKPQDRVXJDDCA-UHFFFAOYSA-M- 분자식
- C32H36ClIN2
- 평균 분자량
- 611 g/mol
- 단동위원소 질량
- 610.16117
개요
See other relationships...
이름 및 식별자
- 우선 이름
- (2E)-2-[(2E)-2-[2-chloro-3-[(Z)-2-(1,3,3-trimethylindol-1-ium-2-yl)ethenyl]cyclohex-2-en-1-ylidene]ethylidene]-1,3,3-trimethylindole iodide
- IUPAC
- (2E)-2-[(2E)-2-[2-chloro-3-[(Z)-2-(1,3,3-trimethylindol-1-ium-2-yl)ethenyl]cyclohex-2-en-1-ylidene]ethylidene]-1,3,3-trimethylindole iodide
- 현지명
- IR-786 요오드화물
- 영어명
- 2-[2-[2-Chloro-3-[(1,3-dihydro-1,3,3-trimethyl-2 H-indol-2-ylidene) ethylidene]-1-cyclohexen-1-yl]ethenyl]-1,3,3-trimethylindolium iodide
- 분자식
- C32H36ClIN2
- 분자량
- 611.01
이름 및 동의어
IR-786 IODIDE1,1',3,3,3',3'-HEXAMETHYL-11-CHLORO-10,12-TRIMETHYLENEINDOTRICARBOCYANINE IODIDE2-[2-[2-Chloro-3-[(1,3-dihydro-1,3,3-trimethyl-2 h-indol-2-ylidene) ethylidene]-1-cyclohexen-1-yl]ethenyl]-1,3,2-(2-(2-Chloro-3-(2-(1,3,3-trimethylindolin-2-ylidene)ethylidene)cyclohex-1-en-1-yl)vinyl)-1,3,3-trimethyl-3H-indol-1-ium iodide2-((Z)-2-((E)-2-chloro-3-(2-((E)-1,3,3-trimethylindolin-2-ylidene)ethylidene)cyclohex-1-en-1-yl)vinyl)-1,3,3-trimethyl-3H-indol-1-ium2-[2-[2-chloro-3-[(1,3-dihydro-1,3,3-trimethyl-2h-indol-2-ylidene)ethylidene]-1-cyclohexen-1-yl]ethenyl]-1,3,3-trimethylindolium iodide2-[2-[2-Chloro-3-[(1,3-dihydro-1,3,3-trimethyl-2H-indol-2-ylidene)ethylidene]-1-cyclopenten-1-yl]ethenyl]-1,3,3-trimethylindolium iodide2-[2-[2-Chloro-3-[(1,3-dihydro-1,3,3-trimethyl-2 H-indol-2-ylidene) ethylidene]-1-cyclohexen-1-yl]ethenyl]-1,3,3-trimethylindolium iodide2-((E)-2-((E)-2-chloro-3-(2-((E)-1,3,3-trimethylindolin-2-ylidene)ethylidene)cyclohex-1-en-1-yl)vinyl)-1,3,3-trimethyl-3H-indol-1-ium iodide
물성
구조 계산 물성
- 극성 표면적
- 6.3 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 2
- 회전 가능 결합 수
- 3
- 무거운 원자 수
- 36
- 형식 전하
- 0
- 복잡도
- 931
물리화학적 성질
- 녹는점
- 270 °C · 270 °C (dec.)(lit.)
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
안전 데이터
- wgk
- 3
- risk_code
- 42/43-63
- hazard_code
- Xn
- safety_code
- 22-26-36/37/39
관련 반응
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