이사틴

Isatin

HCID 7054CAS 91-56-5

기본 정보

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 물성

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

실험 및 물리화학적 성질

LogP · 2건

0.83

0.830

Melting Point · 2건

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

화학적 성질

orange-red powder or crystals

안전 및 규제

GHS 분류

GHS Classification · 6건

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 · 3건

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 · 1건

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]

Hazard Classes and Categories · 2건

Skin Sens. 1B (62.6%);Aquatic Chronic 3 (60.8%)

Skin sensitisation - category 1

독성 정보

Adverse EffectsSkin Sensitizer - An agent that can induce an allergic reaction in the skin.
Toxicity DataLC50 (rat) > 5,200 mg/m3/4hr

규제 정보

Regulatory Information · 3건

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

안전 데이터

wgk
1
tsca
TSCA listed
rtecs
NL7873000
ridadr
2811
HS 번호
29337900
risk_code
36/37/38-20/21/22

화학 및 산업

용도 및 제조

Uses · 2건

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 · 1건

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.

공급사50 곳

国药集团化学试剂有限公司86-21-63210123 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
衢州润东化工有限公司0570-8789886 18892685668 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
上海如吉生物科技发展有限公司+86-21-65211385-8001 36031160 · [email protected]

추가 설명

정의ChEBI: An indoledione that is the 2,3-diketo derivative of indole.

관련 반응

445건

연결된 노트

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