CAS 837392-64-0 5-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)indolin-2-one (HCID 21931486)

기본 정보

CAS: 837392-64-0
표준 SMILES: CC1(C)OB(c2ccc3c(c2)CC(=O)N3)OC1(C)C
InChIKey: BXFPTCYBFJOZHJ-UHFFFAOYSA-N
분자식: C14H18BNO3
평균 분자량: 259.11 g/mol
단동위원소 질량: 259.13797384

이름 및 식별자

우선 이름: 5-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)indolin-2-one
IUPAC: 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-dihydroindol-2-one
영어명: 5-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL) INDOLIN-2-ONE
분자식: C14H18BNO3
분자량: 259.11

이름 및 동의어

837392-64-05-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)INDOLIN-2-ONERefChem:530056812-101-42-Oxoindoline-5-boronic Acid Pinacol Ester5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-dihydroindol-2-one5-(tetramethyl-1,3,2-dioxaborolan-2-yl)-2,3-dihydro-1H-indol-2-oneMFCD086699355-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL) INDOLIN-2-ONE5-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)oxindole1,3-Dihydroindol-2-one-5-boronicacidpinacol ester1,3-Dihydroindol-2-one-5-boronic acid pinacol ester

이름 더 보기

2-OxoindoliCompound 837392-64-02-dioxaborolan-2-yl)indolin-2-one5-Oxindoleboronic Acid Pinacol Ester1,3-Dihydro-indol-2-one-5-boronic acid pinacol ester2-(Oxindole-5-yl)-4,4,5,5-Tetramethyl-1,3,2-dioxaborolane

5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-dihydro-2H-indol-2-oneAKOS015945124PB11853Oxindole-5-boronic acid pinacol ester1,3-Dihydro-FT-0718390OXINDOLE-5-BORONIC ACID, PINACOL ESTERSCHEMBL454535

물성

구조 계산 물성

극성 표면적: 47.6 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 3
회전 가능 결합 수: 1
무거운 원자 수: 19
형식 전하: 0
복잡도: 380

물리화학적 성질

녹는점: 232 to · 232.0 to 236.0 °C
끓는 점: 424.9 · 424.9±45.0 °C(Predicted)
밀도: 1.16 · 1.16±0.1 g/cm3(Predicted)
저장 조건: 2 · 2-8°C
물리적 상태: powder to crystal
산도 계수 (pKa): 14.24 · 14.24±0.20(Predicted)
색상: White to Light yellow to Light orange

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, 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.