2-Chloropyridine-3-boronic acid pinacol ester

HCID 12067060

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 452972-11-1
표준 SMILES: CC1(C)OB(c2cccnc2Cl)OC1(C)C
InChIKey: XFZFMAUUZHBQSS-UHFFFAOYSA-N
분자식: C11H15BClNO2
평균 분자량: 239.51 g/mol
단동위원소 질량: 239.0884368

이름 및 식별자

우선 이름: 2-Chloropyridine-3-boronic acid pinacol ester
IUPAC: 2-chloro-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine
영어명: 2-CHLORO-3-(4,4,5,5-TETRAMETHYL-[1,3,2]DIOXABOROLAN-2-YL)-PYRIDINE
분자식: C11H15BClNO2
분자량: 239.51

이름 및 동의어

2-Chloropyridine-3-boronic acid pinacol esterRefChem:470509626-237-5452972-11-12-Chloro-3-(4,4,5,5-Tetramethyl-1,3,2-Dioxaborolan-2-Yl)Pyridine2-Chloro-3-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)-pyridine2-CHLORO-3-PYRIDINEBORONIC ACID PINACOL ESTERMFCD040398732-CHLOROPYRIDINE-3-BORONIC ACID, PINACOL ESTERAKOS015960301(2-CHLOROPYRIDIN-3-YL)BORONIC ACID PINACOL ESTEREN300-1706266

이름 더 보기

2-Chloro-3-(42]dioxaborolan-2-yl)-pyridine2-chloropyridine-3-borate acid2-Chloro-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)2-(2-Chloro-3-pyridyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane2-[(2-Chloro)pyridin-3-yl]-4,4',5,5'-tetramethyl-1,3-dioxaborolane

2-Chloro-3-(4455-tetramethyl-132-dioxaborolan-2-yl)pyridine2-Chloropyridin-3-ylboronic acid pinacol ester2-chloro-3-(tetramethyl-1,3,2-dioxaborolan-2-yl)pyridineAM20051190Pyridine, 2-chloro-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-SCHEMBL16473312DTXSID60476863XFZFMAUUZHBQSS-UHFFFAOYSA-N

데이터베이스 식별자

CAS: 452972-11-1
PubChem CID: 12067060
DTXSID: DTXSID60476863
EC Number: 626-237-5
Nikkaji: J1.702.368C

물성

구조 계산 물성

극성 표면적: 31.4 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 3
회전 가능 결합 수: 1
무거운 원자 수: 16
형식 전하: 0
복잡도: 257

물리화학적 성질

녹는점: 34 · 34-38 °C
끓는 점: 335.1 · 335.1±27.0 °C(Predicted)
밀도: 1.14 · 1.14±0.1 g/cm3(Predicted)
저장 조건: 2 · under inert gas (nitrogen or Argon) at 2-8°C
물리적 상태: 결정성 분말
산도 계수 (pKa): -0.27 · -0.27±0.10(Predicted)
색상: 흰색에서 노란색, 연한 갈색까지
InChI: 1S/C11H15BClNO2/c1-10(2)11(3,4)16-12(15-10)8-6-5-7-14-9(8)13/h5-7H,1-4H3
InChIKey: XFZFMAUUZHBQSS-UHFFFAOYSA-N
SMILES: CC1(C)OB(OC1(C)C)c2cccnc2Cl

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 45 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.