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

HCID 45480186

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 885618-33-7
표준 SMILES: CC1(C)OB(c2cccc3[nH]ncc23)OC1(C)C
InChIKey: YRPXZCWDXBNPBD-UHFFFAOYSA-N
분자식: C13H17BN2O2
평균 분자량: 244.1 g/mol
단동위원소 질량: 244.13830818

이름 및 식별자

우선 이름: 4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indazole
IUPAC: 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indazole
영어명: 4-(4,4,5,5-Tetramethyl-[1,3,2]dioxaborolan-2-yl)-1H-indazole
분자식: C13H17BN2O2
분자량: 244.1

이름 및 동의어

885618-33-74-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)-1H-INDAZOLEDTXSID60670228RefChem:97181DTXCID30620977813-280-14-(4,4,5,5-TETRAMETHYL-[1,3,2]DIOXABOROLAN-2-YL)-1H-INDAZOLEINDAZOLE-4-BORONIC ACID PINACOL ESTER1H-Indazol-4-ylboronic acid pinacol ester4-(tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indazoleMFCD080592671h-indazol-4-boronic acid pinacol ester

이름 더 보기

2-dioxaborolan-2-1H-indazol-4-boronicIndazole-4-boronic acid p...2-dioxaborolan-2-yl)-1H-indazolePinacol ester indazole-4-boronic acid1H-Indazole-4-boronic acid picol ester1H-Indazole-4-boronic acid pinacol ester1H-Indazole-4-boronic acid pinacol ester, 95%,

4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-2H-indazoleIndazole-4-boronic acid pinacol ester;1H-indazol-4-boronic acid pinacol ester1788080-10-31H-INDAZOLE, 4-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)-SCHEMBL189955(1H-INDAZOL-4-YL)BORONIC ACID PINACOL ESTERSCHEMBL15386214SCHEMBL29376674

데이터베이스 식별자

CAS: 885618-33-7
PubChem CID: 45480186
DTXSID: DTXSID60670228
EC Number: 813-280-1

물성

구조 계산 물성

극성 표면적: 47.1 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 3
회전 가능 결합 수: 1
무거운 원자 수: 18
형식 전하: 0
복잡도: 319

물리화학적 성질

녹는점: 139 · 139-142℃
저장 조건: 2 · Inert atmosphere,2-8°C
물리적 상태: 고체
색상: 흰색에서 황백색까지
InChI: InChI=1S/C13H17BN2O2/c1-12(2)13(3,4)18-14(17-12)10-6-5-7-11-9(10)8-15-16-11/h5-8H,1-4H3,(H,15,16)
InChIKey: YRPXZCWDXBNPBD-UHFFFAOYSA-N
SMILES: N1C2=C(C(B3OC(C)(C)C(C)(C)O3)=CC=C2)C=N1

안전 및 규제

GHS 분류

GHS Classification · 5건

This chemical does not meet GHS hazard criteria for 50% (1 of 2) of reports.

Warning

H315 (50%): 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.

유해성 정보

Hazard Classes and CategoriesSkin Irrit. 2 (50%)

안전 데이터

HS 번호: 2933998090

화학 및 산업

상·하류 제품 정보

상류 원료

하류 제품

인다졸

공급사100 곳

武汉英诺医药科技有限公司+86-027-59232304 15387063101 · [email protected]

毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]

苏州启航生物科技有限公司18151111370 · [email protected]

杭州品高化工有限公司0571-87658025 · [email protected]

温州共赢化学有限公司+86-0086-577-64498589 +86-15355981851 · [email protected]

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