기본 정보
- CAS
84-83-3- 표준 SMILES
CN1C(=CC=O)C(C)(C)c2ccccc21- InChIKey
GCECACVNILMTRD-UHFFFAOYSA-N- 분자식
- C13H15NO
- 평균 분자량
- 201.26 g/mol
- 단동위원소 질량
- 201.1153641
개요
1,3-Dihydro-1,3,3-trimethyl-2H-indol-2-ylidene acetaldehyde is a member of indoles.
이름 및 식별자
- 우선 이름
- 1,3-dihydro-1,3,3-trimethyl-2H-indol-2-ylidene acetaldehyde
- IUPAC
- 2-(1,3,3-trimethylindol-2-ylidene)acetaldehyde
- 현지명
- 2-(1,3,3-트리메틸인돌린-2-일리덴)아세트알데히드
- 영어명
- 1,3,3-Trimethyl-2-(formylmethylene)indoline
- 분자식
- C13H15NO
- 분자량
- 201.26
이름 및 동의어
84-83-31,3-Dihydro-1,3,3-trimethyl-2H-indol-2-ylidene acetaldehydeDTXSID7052579RefChem:218552DTXCID8031152201-565-82-(1,3,3-Trimethylindolin-2-ylidene)acetaldehyde1,3,3-TRIMETHYL-2-(FORMYLMETHYLENE)INDOLINEAcetaldehyde, (1,3-dihydro-1,3,3-trimethyl-2H-indol-2-ylidene)-(E)-2-(1,3,3-trimethylindolin-2-ylidene)acetaldehyde2-(1,3,3-trimethylindol-2-ylidene)acetaldehydeMFCD00035879
이름 더 보기
2-(1,3,3-트리메틸인돌린-2-일리덴)아세트알데히드1,3-다이하이드로-1,3,3-트라이메틸-2H-인돌-2-일리덴 아세트알데하이드1,3,3-트리메틸-2-(포르밀메틸렌)인돌린Fischer aldehydeFISCHER'S ALDEHYDEin-2-yLNSC 68048Zinc00225702tribasenaldehydeFisher's aldehyde2-(1,3,3-TrimethyLfischer’s aldehydeTIMTEC-BB SBB010084
CHEBI:17003285654-15-5SB659411127303-63-2(1,3,3-Trimethyl-1,3-dihydro-indol-2-ylidene)-acetaldehyde(1,3,3-trimethyl-1,3-dihydro-2H-indol-2-ylidene)acetaldehydeMFCD00071813SCHEMBL132708
물성
구조 계산 물성
- XLogP
- 2.5
- 극성 표면적
- 20.3 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 2
- 회전 가능 결합 수
- 1
- 무거운 원자 수
- 15
- 형식 전하
- 0
- 복잡도
- 293
실험 및 물리화학적 성질
Collision Cross Section143.2 Ų [M]+ [CCS Type: DT; Buffer gas: N2; Ionization: APCI+; Dataset: TOXCAST; Source Identifier: DTXSID7052579]
물리화학적 성질
- 녹는점
- 112 · 112-116 °C (lit.)
- 끓는 점
- 339.19 °C · 339.19°C (rough estimate)
- 밀도
- 1.0405 · 1.0405 (rough estimate)
- 굴절률
- 1.53 · 1.5300 (estimate)
- 저장 조건
- 2 · 2-8°C
- 산도 계수 (pKa)
- 0.82 · 0.82±0.40(Predicted)
- InChI
- InChI=1S/C13H15NO/c1-13(2)10-6-4-5-7-11(10)14(3)12(13)8-9-15/h4-9H,1-3H3
- InChIKey
- GCECACVNILMTRD-UHFFFAOYSA-N
- SMILES
- C(=O)C=C1C(C)(C)C2=C(N1C)C=CC=C2
- EPA
- Acetaldehyde, (1,3-dihydro-1,3,3-trimethyl-2H-indol-2-ylidene)- (84-83-3)
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
Danger
H301 (93.2%): Toxic if swallowed [Danger Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P316, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 44 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
유해성 정보
Regulatory InformationChemical: Acetaldehyde, (1,3-dihydro-1,3,3-trimethyl-2H-indol-2-ylidene)-
Other Safety InformationIMAP assessments - Acetaldehyde, (1,3-dihydro-1,3,3-trimethyl-2H-indol-2-ylidene)-: Human health tier I assessment
Hazard Classes and CategoriesAcute Tox. 3 (93.2%)
안전 데이터
- wgk
- 3
- tsca
- TSCA listed
- rtecs
- AB2812500
- risk_code
- 36/37/38
- hazard_code
- Xi
- safety_code
- 26-36
- 기존화학 물질
- KE-10764
- Hazard Classifications
- Eye Irrit. 2Skin Irrit. 2STOT SE 3
- 스토리지 클래스
- 11 - Combustible Solids
화학 및 산업
용도 및 제조
General Manufacturing InformationAcetaldehyde, 2-(1,3-dihydro-1,3,3-trimethyl-2H-indol-2-ylidene)-: ACTIVE
응용 분야
용도Reactant for preparation of:• ;Cyanine dyes1• ;Photopolymer holographic recording materials2
일반 설명2-(1,3,3-Trimethylindolin-2-ylidene)acetaldehyde is an a,-unsaturated aldehyde.
상·하류 제품 정보
하류 제품
공급사90 곳
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
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