기본 정보
- CAS
65122-08-9- 표준 SMILES
CC(=O)[O-].CN1C(=CC=CC2=[N+](C)c3ccccc3C2(C)C)C(C)(C)c2ccccc21- InChIKey
URHPWVXDUPYQLQ-UHFFFAOYSA-M- 분자식
- C25H29N2.C2H3O2
- 평균 분자량
- 416.6 g/mol
- 단동위원소 질량
- 416.24637827
이름 및 식별자
- 우선 이름
- 3H-Indolium, 2-(3-(1,3-dihydro-1,3,3-trimethyl-2H-indol-2-ylidene)-1-propen-1-yl)-1,3,3-trimethyl-, acetate (1:1)
- IUPAC
- 1,3,3-trimethyl-2-[3-(1,3,3-trimethylindol-1-ium-2-yl)prop-2-enylidene]indole acetate
- 영어명
- 2-[3-(1,3-dihydro-1,3,3-trimethyl-2H-indol-2-ylidene)prop-1-enyl]-1,3,3-trimethyl-3H-indolium acetate
- 분자식
- C27H32N2O2
- 분자량
- 416.55518
이름 및 동의어
65122-08-9EINECS 265-479-2DTXSID00702333H-Indolium, 1,3,3-trimethyl-2-(3-(1,3,3-trimethyl-2-indolinylidene)propenyl)-, acetate2-(3-(1,3-Dihydro-1,3,3-trimethyl-2H-indol-2-ylidene)prop-1-enyl)-1,3,3-trimethyl-3H-indolium acetate3H-Indolium, 2-(3-(1,3-dihydro-1,3,3-trimethyl-2H-indol-2-ylidene)-1-propen-1-yl)-1,3,3-trimethyl-, acetate (1:1)2-[3-(1,3-Dihydro-1,3,3-trimethyl-2H-indol-2-ylidene)prop-1-enyl]-1,3,3-trimethyl-3H-indolium acetate3H-Indolium, 2-[3-(1,3-dihydro-1,3,3-trimethyl-2H-indol-2-ylidene)-1-propen-1-yl]-1,3,3-trimethyl-, acetate (1:1)RefChem:95803DTXCID7044506265-479-23H-Indolium, 2-[3-(1,3-dihydro-1,3,3-trimethyl-2H-indol-2-ylidene)-1-propenyl]-1,3,3-trimethyl-, acetate
이름 더 보기
Astraphoxine LiquidC.I. Basic Red 12, acetate1,3,3-trimethyl-2-[3-(1,3,3-trimethylindol-1-ium-2-yl)prop-2-enylidene]indole3H-Indolium, 1,3,3-trimethyl-2-(3-(1,3,3-trimethyl-2-indolinylidene)pr openyl)-, acetate3H-Indolium, 2-3-(1,3-dihydro-1,3,3-trimethyl-2H-indol-2-ylidene)-1-propenyl-1,3,3-trimethyl-, acetate
물성
구조 계산 물성
- 극성 표면적
- 46.4 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 3
- 회전 가능 결합 수
- 2
- 무거운 원자 수
- 31
- 형식 전하
- 0
- 복잡도
- 648
물리화학적 성질
- 끓는 점
- 103 ℃[at · 103℃[at 101 325 Pa]
- 밀도
- 1.1 · 1.1[at 20℃]
- 증기압
- 0 · 0-0Pa at 25℃
- 수용성
- 844 μg/L · 844μg/L at 25℃
- LogP
- 4.04 · 4.04
- EPA
- 3 H-Indolium, · 3H-Indolium, 2-[3-(1,3-dihydro-1,3,3-trimethyl-2H-indol-2-ylidene)-1-propenyl]-1,3,3-trimethyl-, acetate (65122-08-9)
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
This chemical does not meet GHS hazard criteria for 1.7% (2 of 121) of reports.
Danger
H301 (97.5%): Toxic if swallowed [Danger Acute toxicity, oral]
P260, P264, P264+P265, P270, P273, P280, P301+P316, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P330, P363, P391, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 121 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
유해성 정보
Regulatory Information
Chemical: 3H-Indolium, 2-[3-(1,3-dihydro-1,3,3-trimethyl-2H-indol-2-ylidene)-1-propenyl]-1,3,3-trimethyl-, acetate
REACH registered substance: 2-[3-(1,3-dihydro-1,3,3-trimethyl-2H-indol-2-ylidene)prop-1-enyl]-1,3,3-trimethyl-3H-indolium acetate (EC: 265-479-2)
3H-Indolium, 2-3-(1,3-dihydro-1,3,3-trimethyl-2H-indol-2-ylidene)-1-propenyl-1,3,3-trimethyl-, acetate: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.
Hazard Classes and CategoriesAcute Tox. 3 (97.5%)
안전 데이터
- tsca
- TSCA listed
화학 및 산업
용도 및 제조
General Manufacturing Information3H-Indolium, 2-[3-(1,3-dihydro-1,3,3-trimethyl-2H-indol-2-ylidene)-1-propen-1-yl]-1,3,3-trimethyl-, acetate (1:1): ACTIVE
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