메틸옥신돌-5-카르복실레이트

Methyl 2,3-dihydro-2-oxo-1H-indole-5-carboxylate

HCID 2773516

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 199328-10-4
표준 SMILES: COC(=O)c1ccc2c(c1)CC(=O)N2
InChIKey: CYBPPDZFRDSSME-UHFFFAOYSA-N
분자식: C10H9NO3
평균 분자량: 191.18 g/mol
단동위원소 질량: 191.05824315

이름 및 식별자

우선 이름: Methyl 2,3-dihydro-2-oxo-1H-indole-5-carboxylate
IUPAC: methyl 2-oxo-1,3-dihydroindole-5-carboxylate
현지명: 메틸옥신돌-5-카르복실레이트
영어명: Methyl oxindole-5-carboxylate
분자식: C10H9NO3
분자량: 191.18

이름 및 동의어

Methyl 2,3-dihydro-2-oxo-1H-indole-5-carboxylateRefChem:812920640-948-8199328-10-4Methyl Oxindole-5-carboxylateMethyl 2-Oxoindoline-5-carboxylateMethyl 2-oxindole-5-carboxylatemethyl 2-oxo-2,3-dihydro-1H-indole-5-carboxylate1H-Indole-5-carboxylic acid, 2,3-dihydro-2-oxo-, methyl estermethyl 2-oxo-1,3-dihydroindole-5-carboxylateMFCD02179600methyl 2-oxo-5-indolinecarboxylate

이름 더 보기

메틸옥신돌-5-카르복실레이트Methyl 2-oxindole-5-carbo...Methyl-2-Dxoindline-5-carboxylateMethyl oxindole-5-carboxylate 96%METHYL 2-OXINDOLINE-5-CARBOXYLATEMethyl 2-oxindole-5-carboxylate 96%

2-OXO-2,3-DIHYDRO-1H-INDOLE-5-CARBOXYLIC ACID METHYL ESTER5-(METHOXYCARBONYL)-2-OXINDOLESY0043532-INDOLINONE-5-CARBOXYLIC ACID METHYL ESTER5-methoxycarbonyloxindoleMethylOxindole-5-carboxylateV8ENE686EG5-Methoxycarbonyl-2-oxindole

데이터베이스 식별자

CAS: 199328-10-4
PubChem CID: 2773516
DTXSID: DTXSID60378515
UNII: V8ENE686EG
EC Number: 640-948-8

물성

구조 계산 물성

XLogP: 0.6
극성 표면적: 55.4 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 3
회전 가능 결합 수: 2
무거운 원자 수: 14
형식 전하: 0
복잡도: 264

물리화학적 성질

녹는점: 192 · 192-199
끓는 점: 405.6 · 405.6±45.0 °C(Predicted)
밀도: 1.283 · 1.283±0.06 g/cm3(Predicted)
저장 조건: 2 · under inert gas (nitrogen or Argon) at 2-8°C
용해도: DMSO(약간 용해됨), 메탄올(약간 용해됨)
물리적 상태: 고체
산도 계수 (pKa): 13.43 · 13.43±0.20(Predicted)
색상: 매우 어두운 빨간색에서 매우 어두운 갈색까지
InChI: InChI=1S/C10H9NO3/c1-14-10(13)6-2-3-8-7(4-6)5-9(12)11-8/h2-4H,5H2,1H3,(H,11,12)
InChIKey: CYBPPDZFRDSSME-UHFFFAOYSA-N
SMILES: N1C2=C(C=C(C(OC)=O)C=C2)CC1=O

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

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

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, 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 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Hazard Classes and CategoriesAcute Tox. 4 (100%)

안전 데이터

HS 번호: 2933790090
risk_code: 36/37/38
safety_code: 26-36
위험 참고 사항: Harmful

화학 및 산업

응용 분야

용도Methyl indole-5-carboxylate may be used as a reactant in the following processes: biosynthesis of inhibitors of protein kinases metal-free Friedel-Crafts alkylation preparation of diphenylsulfonium ylides from Martin′s sulfurane.