Oxindole (HCID 321710)

개요

Indolin-2-one is an indolinone carrying an oxo group at position 2. It is an indolinone and a gamma-lactam.

이름 및 식별자

우선 이름: Oxindole
IUPAC: 1,3-dihydroindol-2-one
영어명: Oxindole
분자식: C8H7NO
분자량: 133.15

이름 및 동의어

Oxindole59-48-32-Oxindole2-Indolinone1,3-Dihydro-2H-indol-2-one1,3-Dihydroindol-2-oneOxindolIndol-2(3H)-one2H-Indol-2-one, 1,3-dihydro-Indoline-2-oneindol-2-olDICLOFENAC IMPURITY E

이름 더 보기

1,3-Dihydro-indol-2-oneNSC 2748632-Indolone

0S9338U62HNSC-274863DTXSID80870389RefChem:477580DTXCID70818114200-429-52-hydroxyindoleIndolin-2-one

데이터베이스 식별자

CAS: 59-48-3
PubChem CID: 321710
DTXSID: DTXSID80870389
ChEMBL: CHEMBL40823
ChEBI: CHEBI:31697
UNII: 0S9338U62H
EC Number: 200-429-5
Nikkaji: J1.393E

물성

구조 계산 물성

XLogP: 1.2
극성 표면적: 29.1 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 1
회전 가능 결합 수: 0
무거운 원자 수: 10
형식 전하: 0
복잡도: 155

실험 및 물리화학적 성질

Chemical ClassesNitrogen Compounds -> Indoles

SpringerMaterials Properties15N nuclear magnetic resonance spectrum

Vapor Pressure0.000132 [mmHg]

Physical DescriptionWhite to brown powder; [Alfa Aesar MSDS]

물리화학적 성질

녹는점: 123 · 123-128 °C(lit.)
끓는 점: 227 °C73 · 227 °C73 mm Hg(lit.)
밀도: 1.1475 · 1.1475 (rough estimate)
굴절률: 1.5282 · 1.5282 (estimate)
인화점: 194 · 194-196°C/17mm
저장 조건: Sealed in dry,Room Temperature
용해도: 9.1 g/L · 9.1g/L
산도 계수 (pKa): 14.77 · 14.77±0.20(Predicted)
물리적 상태: 고체
색상: 연한 갈색
수용성: 불용성
BRN: 114692 · 114692
InChI: 1S/C8H7NO/c10-8-5-6-3-1-2-4-7(6)9-8/h1-4H,5H2,(H,9,10)
InChIKey: JYGFTBXVXVMTGB-UHFFFAOYSA-N
SMILES: O=C1Cc2ccccc2N1
NIST: 2 H-Indol-2-one, · 2H-Indol-2-one, 1,3-dihydro-(59-48-3)
EPA: Oxindol (59-48-3)

화학적 성질

beige to yellowish-orange or pinkish-brown powder

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 85 reports by companies from 3 notifications to the ECHA C&L Inventory.

유해성 정보

Regulatory Information · 2건

Chemical: 2H-Indol-2-one, 1,3-dihydro-

2H-Indol-2-one, 1,3-dihydro-: Does not have an individual approval but may be used under an appropriate group standard

Other Safety InformationIMAP assessments - 2H-Indol-2-one, 1,3-dihydro-: Environment tier I assessment

Hazards Summary · 1건

Causes flaccid paralysis without anesthesia (usually neuromuscular blockage), changes in motor activity, and ataxia in oral and intraperitoneal lethal-dose studies of mice; [RTECS] May cause irritation; Harmful by ingestion; [Alfa Aesar MSDS] See Indole.

Hazard Classes and CategoriesAcute Tox. 4 (100%)

안전 데이터

wgk: 3
rtecs: NM2080500
ridadr: 2811
HS 번호: 29337900
risk_code: 22
hazard_code: Xn
safety_code: 22-24/25
포장분류: III
위험 등급: 6.1(b)
스토리지 클래스: 11 - Combustible Solids

화학 및 산업

약리 정보

Metabolism/MetabolitesOxindole is a known human metabolite of indole.

응용 분야

용도Oxindole is considered as indole analogue, which shows pharmacological activity.

상·하류 제품 정보

상류 원료

4-chlorobenzo[d]oxazol-2(3H)-one 2',6'-디클로로포름아닐리드 1-(2,6-Dichlorophenyl)-2-hydroindole 벤젠,1,3-디클로로-2-이소시아노-(9CI)디클로페낙 나트륨 2,6-Dichlorophenyl isocyanate 9(10H)-Acridinone, 4-chloro-1,3-디클로로-2-니트로벤젠 2,6-Dichlorodiphenylamine

하류 제품

5-브로모-2-옥신돌 5-아세틸옥시인돌 10,15-Dihydro-5H-diindolo[3,2-a:3',2'-c]carbazole 3-[(2,4-Dimethylpyrrol-5-yl)methylidenyl]-2-indolinon 5-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl) indolin-2-one 1-메틸-2-인돌리논

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]

INTATRADE GmbH+49 3493/605464 · [email protected]

추가 설명

정의ChEBI: Indolin-2-one is an indolinone carrying an oxo group at position 2. It is an indolinone and a gamma-lactam.

연결된 노트

불러오는 중…

Oxindole

기본 정보

개요