이사틴
Isatin
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기본 정보
- CAS
91-56-5- 표준 SMILES
O=C1Nc2ccccc2C1=O- InChIKey
JXDYKVIHCLTXOP-UHFFFAOYSA-N- 분자식
- C8H5NO2
- 평균 분자량
- 147.13 g/mol
- 단동위원소 질량
- 147.0320284
이름 및 식별자
- 우선 이름
- Isatin
- IUPAC
- 1H-indole-2,3-dione
- 현지명
- 이사틴
- 영어명
- Isatin
- 분자식
- C8H5NO2
- 분자량
- 147.13
이름 및 동의어
Isatin91-56-51H-Indole-2,3-dioneINDOLE-2,3-DIONE2,3-Diketoindoline2,3-DioxoindolinePseudoisatinIsotinIsatic acid lactamIsatinic acid anhydrideo-Aminobenzoylformic anhydride2,3-Dioxo-2,3-dihydroindole
이름 더 보기
이사틴인돌-2,3-디온IsatinesatinlsatinISATIC ANHYDRIDE2,3-INDOLINEDIONE
2,3-dihydro-1H-indole-2,3-dioneDTXSID3038694CHEBI:27539NSC-926282X95S7M06DTXCID10186942,3 DioxoindolineRefChem:148910
데이터베이스 식별자
- CAS
91-56-5- PubChem CID
- 7054
- DTXSID
DTXSID3038694- ChEMBL
CHEMBL326294- ChEBI
CHEBI:27539- UNII
- 82X95S7M06
- EC Number
- 202-077-8
- Nikkaji
- J4.342G、J608.794I
물성
구조 계산 물성보충 중
- XLogP
- 0.8
- 극성 표면적
- 46.2 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 2
- 회전 가능 결합 수
- 0
- 무거운 원자 수
- 11
- 형식 전하
- 0
- 복잡도
- 212
실험 및 물리화학적 성질
LogP
0.83
0.830
Melting Point
203
203.00 °C. @ 760.00 mm Hg
Vapor Pressure0.0000111 [mmHg]
Physical DescriptionOrange solid; [Merck Index] Orange odorless powder; [Alfa Aesar MSDS]
Kovats Retention Index1712；1712
물리화학적 성질
- 녹는점
- 193 · 193-195 °C (dec.) (lit.)
- 끓는 점
- 267.22 °C · 267.22°C (rough estimate)
- 밀도
- 1.3067 · 1.3067 (rough estimate)
- 증기압
- 0 Pa · 0Pa at 25℃
- 굴절률
- 1.47 · 1.4700 (estimate)
- 인화점
- 220 °C · 220 °C
- 저장 조건
- 30 °C · Store below +30°C.
- 용해도
- 쉽게 용해됨
- 산도 계수 (pKa)
- 10.34 · 10.34±0.20(Predicted)
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 25.7% (44 of 171) of reports.
Warning
H317 (62.6%): May cause an allergic skin reaction [Warning Sensitization, Skin]；H412 (60.8%): Harmful to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]
P261, P272, P273, P280, P302+P352, P321, P333+P317, P362+P364, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 171 reports by companies from 12 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Reported as not meeting GHS hazard criteria per 44 of 171 reports by companies.；There are 10 notifications provided by 127 of 171 reports by companies with hazard statement code(s).；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.
유해성 정보
Regulatory Information
Chemical: 1H-Indole-2,3-dione
Status: Active Update: 02-09-2015 https://echa.europa.eu/registration-dossier/-/registered-dossier/15909
1H-Indole-2,3-dione: Does not have an individual approval but may be used under an appropriate group standard
Other Safety InformationIMAP assessments - 1H-Indole-2,3-dione: Human health tier II assessment
Hazards Summary
Not a skin or eye irritant in rabbits; A very potent skin sensitizer in guinea pig maximization study; No evidence of contact allergy in Buehler study of guinea pigs (considered inconclusive due to orange/red staining at application sites); Delayed contact hypersensitivity observed in local lymph node assay (LLNA) studies of mice; Teratogenicity observed in the presence of maternal toxicity in rats; [EC: SCCP] Causes flaccid paralysis without anesthesia (usually neuromuscular blockage) and changes in motor activity in oral and intravenous lethal-dose studies of rats; Causes pigmented or nucleated red blood cells and changes in erythrocyte count in 6-week oral studies of rats; [RTECS] May cause eye irritation; Reproductive effects observed in experimental animals; [Alfa Aesar MSDS]
화학 및 산업
용도 및 제조
Uses
Used to make vat dyes and in analytical chemistry as a reagent for cuprous ions, mercaptans, thiophene, and indican; [Merck Index] Used in hair coloring products; [EC: SCCP]
Dressing Hair [Category: Other]
General Manufacturing Information1H-Indole-2,3-dione: ACTIVE
응용 분야
용도Isatin is an endogenous monoamine oxidize (MAO) inhibitor involved in stress and anxiety. Additionally, isatin inhibits alkaline phosphatase (ALP), nitric oxide (NO)-stimulated soluble guanylate cyclase, and other enzymes. Isatins undergo a one-pot Wolff-Kishner like reduction with hydrazine hydrate, under surprisingly mild conditions, to give the corresponding oxindoles. It is used as chromatographic spray reagent for amino acid detection.
상·하류 제품 정보
상류 원료
하류 제품
관련 반응
445건
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