2H-Indol-2-one, 1,3-dihydro-3,3-bis(4-hydroxy-3-methylphenyl)-

HCID 162076CAS 47465-97-4

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: Cc1cc(C2(c3ccc(O)c(C)c3)C(=O)Nc3ccccc32)ccc1O
InChIKey: ZEKCYPANSOJWDH-UHFFFAOYSA-N
분자식: C22H19NO3
평균 분자량: 345.4 g/mol
단동위원소 질량: 345.13649347

개요

3,3-bis(4-hydroxy-3-methylphenyl)-1H-indol-2-one is a member of indoles.

이름 및 식별자

우선 이름: 2H-Indol-2-one, 1,3-dihydro-3,3-bis(4-hydroxy-3-methylphenyl)-
IUPAC: 3,3-bis(4-hydroxy-3-methylphenyl)-1H-indol-2-one
영어명: 3,3-Bis(3-methyl-4-hydroxyphenyl)indoline-2-on
분자식: C22H19NO3
분자량: 345.39

이름 및 동의어

2H-Indol-2-one, 1,3-dihydro-3,3-bis(4-hydroxy-3-methylphenyl)-RefChem:48428447465-97-4Isatin Bis-cresol3,3-Bis(4-hydroxy-3-methylphenyl)indolin-2-one3,3-bis(4-hydroxy-3-methylphenyl)-1H-indol-2-one1,3-Dihydro-3,3-bis(4-hydroxy-3-methylphenyl)-2H-indol-2-one3,3-Bis(3-methyl-4-hydroxyphenyl)indoline-2-on1,3-Dihydro-3,3-bis(4-hydroxy-m-tolyl)-2H-indol-2-one3,3-Bis(4-hydroxy-3-methylphenyl)-1,3-dihydro-2H-indol-2-oneMLS000570994SMR000187058

이름 더 보기

IBK3,3-Bis(3-methyl-4-hydroxyphenyl)indoline-2-one3,3-Bis(4-hydroxy-3-methylphenyl)indoline-2-one3,3-bis(2-hydroxy-5-methylphenyl)-1H-indol-2-one1,3-DIHYDRO-3,3-BIS(4-HYDROXY-3-METHYLPHENYL)-2H-I

Isatin biscresol3,3-Bis(3-methyl-4-hydroxyphenyl)-2-indolinoneIsatin-bis-cresolEINECS 256-318-71,3-Dihydro-3,3-bis(4-hydroxy-3-methylphenyl)-2H-indol-2-one; 2H-Indol-2-one, 1,3-dihydro-3,3-bis(4-hydroxy-3-methylphenyl)-; 3,3-Bis(3-methyl-4-hydroxyphenyl)-2-indolinoneMFCD00484556Isatin-bis-cresol=IBK8JKQ5E4TXE

데이터베이스 식별자

CAS: 47465-97-4
PubChem CID: 162076
DTXSID: DTXSID1052119
ChEMBL: CHEMBL1589652
ChEBI: CHEBI:107976
UNII: 8JKQ5E4TXE
EC Number: 256-318-7
Nikkaji: J422.505H

물성

구조 계산 물성

XLogP: 4
극성 표면적: 69.6 Å²
수소 결합 공여자 수: 3
수소 결합 수용자 수: 3
회전 가능 결합 수: 2
무거운 원자 수: 26
형식 전하: 0
복잡도: 509

실험 및 물리화학적 성질

Endocrine DisruptorsPotential endocrine disrupting compound

Collision Cross Section185.4 Å² [M+H]+ [CCS Type: DT; Buffer gas: N2; Ionization: ESI+; Dataset: TOXCAST; Source Identifier: DTXSID1052119]

물리화학적 성질

녹는점: 250 · 250-251°C
끓는 점: 560.4 · 560.4±50.0 °C(Predicted)
밀도: 1.292 · 1.292±0.06 g/cm3(Predicted)
저장 조건: 2 · 2-8°C
용해도: DMSO(약간 용해됨), 메탄올(약간 용해됨)
산도 계수 (pKa): 9.81 · 9.81±0.35(Predicted)
물리적 상태: 고체
색상: 흰색에서 황백색까지
EPA: 2 H-Indol-2-one, · 2H-Indol-2-one, 1,3-dihydro-3,3-bis(4-hydroxy-3-methylphenyl)- (47465-97-4)

화학적 성질

White solid

안전 및 규제

유해성 정보

Regulatory Information2H-Indol-2-one, 1,3-dihydro-3,3-bis(4-hydroxy-3-methylphenyl)-: Does not have an individual approval but may be used under an appropriate group standard

안전 데이터

tsca: TSCA listed
ridadr: 2811
HS 번호: 29349990
risk_code: 20/21/22
safety_code: 36/37

화학 및 산업

용도 및 제조

General Manufacturing Information2H-Indol-2-one, 1,3-dihydro-3,3-bis(4-hydroxy-3-methylphenyl)-: ACTIVE

응용 분야

용도3,3-Bis(3-methyl-4-hydroxyphenyl)indoline-2-on is useful as a material for polycarbonates

상·하류 제품 정보

상류 원료

공급사20 곳

郑州阿尔法化工有限公司+86-18530059196 · [email protected]

广州佳途科技股份有限公司81960175 18933936954 · [email protected]

上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]

Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]

Hangzhou Sage Chemical Co., Ltd.+86057186818502 13588463833 · [email protected]

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