CAS 1072812-69-1 7-Methoxy-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole (HCID 53216776)

기본 정보

CAS: 1072812-69-1
표준 SMILES: COc1cccc2cc(B3OC(C)(C)C(C)(C)O3)[nH]c12
InChIKey: PUMBCQFXUXKTHQ-UHFFFAOYSA-N
분자식: C15H20BNO3
평균 분자량: 273.14 g/mol
단동위원소 질량: 273.1536239

이름 및 식별자

우선 이름: 7-Methoxy-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole
IUPAC: 7-methoxy-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole
현지명: 7-METHOXY-1H-INDOLE-2-BORONICACIDPINACOL에스테르
영어명: 7-Methoxy-1H-indole-2-boronic acid pinacol ester
분자식: C15H20BNO3
분자량: 273.14

이름 및 동의어

1072812-69-17-Methoxy-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indoleDTXSID30681922RefChem:310936DTXCID306326717-Methoxyindole-2-boronic acid pinacol ester7-METHOXY-1H-INDOLE-2-BORONIC ACID PINACOL ESTERMFCD118583577-methoxy-2-(tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole(7-METHOXY-1H-INDOL-2-YL)BORONIC ACID PINACOL ESTERSCHEMBL593607PUMBCQFXUXKTHQ-UHFFFAOYSA-N

이름 더 보기

7-METHOXY-1H-INDOLE-2-BORONICACIDPINACOL에스테르7-methoxy-1H-indole-2-boronic acid picol ester7-Methoxy-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)1H-Indole, 7-methoxy-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-

CPD2801-A8AKOS015999421MB10187AC-31582AS-55653SY123374DB-059593CS-0063422

데이터베이스 식별자

물성

구조 계산 물성

극성 표면적: 43.5 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 3
회전 가능 결합 수: 2
무거운 원자 수: 20
형식 전하: 0
복잡도: 358

물리화학적 성질

끓는 점: 430.7 · 430.7±25.0 °C(Predicted)
밀도: 1.13 · 1.13±0.1 g/cm3(Predicted)
저장 조건: -20 °C · Inert atmosphere,Store in freezer, under -20°C
산도 계수 (pKa): 16.25 · 16.25±0.30(Predicted)

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 38 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.