5-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)benzofuran

HCID 2795190

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 519054-55-8
표준 SMILES: CC1(C)OB(c2ccc3occc3c2)OC1(C)C
InChIKey: ZQCCCOMKYKVFFN-UHFFFAOYSA-N
분자식: C14H17BO3
평균 분자량: 244.1 g/mol
단동위원소 질량: 244.1270748

이름 및 식별자

우선 이름: 5-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)benzofuran
IUPAC: 2-(1-benzofuran-5-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
영어명: 5-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-1-benzofuran
분자식: C14H17BO3
분자량: 244.09

이름 및 동의어

5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzofuranRefChem:530055519054-55-82-(benzofuran-5-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolaneBenzofuran-5-boronic acid pinacol ester5-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-1-benzofuran2-(1-benzofuran-5-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolaneMFCD04115374DTXSID50383572AKOS015918450B58235-(4,4,5,5-tetramethyl-1,3-dioxaborolan-2-yl)-1-benzofuran

이름 더 보기

2-(Benzofuran-5-yl)2-dioxaborolan-2-yl)-1-benzofuranBenzo[b]furan-5-boronic acid, pinacol ester5-(4,4,5,5-Tetramethyl-1,3,2-Dioxaborolan-2-Yl)-1-Ben5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzo[b]furan

Benzofuran, 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-SCHEMBL10148SCHEMBL29848539ZQCCCOMKYKVFFN-UHFFFAOYSA-NSBB099800BENZOFURAN-5-BORONIC ACID PINAB19948CS-W003183

데이터베이스 식별자

CAS: 519054-55-8
PubChem CID: 2795190
DTXSID: DTXSID50383572
EC Number: 695-896-9

물성

구조 계산 물성

극성 표면적: 31.6 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 3
회전 가능 결합 수: 1
무거운 원자 수: 18
형식 전하: 0
복잡도: 313

물리화학적 성질

녹는점: 72 °C · 72 °C
끓는 점: 340 · 340.0±15.0 °C(Predicted)
밀도: 1.1 · 1.10±0.1 g/cm3(Predicted)
저장 조건: 2 · under inert gas (nitrogen or Argon) at 2-8°C
물리적 상태: powder to crystal
색상: 흰색에서 거의 흰색

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 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.