2-Chloro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine

HCID 2794719CAS 444120-94-9

기본 정보

표준 SMILES: CC1(C)OB(c2ccc(Cl)nc2)OC1(C)C
InChIKey: IEFBTHROULVUAH-UHFFFAOYSA-N
분자식: C11H15BClNO2
평균 분자량: 239.51 g/mol
단동위원소 질량: 239.0884368

이름 및 식별자

우선 이름: 2-Chloro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine
IUPAC: 2-chloro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine
영어명: 2-Chloro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine
분자식: C11H15BClNO2
분자량: 239.51

이름 및 동의어

444120-94-92-Chloro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridineDTXSID40383349RefChem:258874DTXCID60334373624-473-32-Chloropyridine-5-boronic Acid Pinacol EsterMFCD034127936-Chloro-3-pyridineboronic acid pinacol ester6-Chloropyridine-3-boronic acid pinacol esterPyridine, 2-chloro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-Chloro-5-pyridylboronic acid pinacol ester

이름 더 보기

2-chloro-5-(4AKOS BRN-0198RARECHEM AK ML 04452-chloropyridine-5-borate acid2-Chloropyridine-5-boronic acid pinacol6-Chloropyridine-3-bronic acid pinacol ester2-CHLORO-5-PYRIDINEBORONIC ACID PINACOL ESTER2-Chloropyridine-5-boronic acid, pinacol este

2-Chloropyridine-5-boronic acid, pinacol esterSCHEMBL1602392(6-CHLOROPYRIDIN-3-YL)BORONIC ACID PINACOL ESTERSCHEMBL295166512-chloro-5-(tetramethyl-1,3,2-dioxaborolan-2-yl)pyridineIEFBTHROULVUAH-UHFFFAOYSA-N2-(6-Chloro-3-pyridyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolaneSBB099133

데이터베이스 식별자

CAS: 444120-94-9
PubChem CID: 2794719
DTXSID: DTXSID40383349
EC Number: 624-473-3
Nikkaji: J2.142.726H

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: 86 · 86-90 °C
끓는 점: 328.3 · 328.3±27.0 °C(Predicted)
밀도: 1.14 · 1.14±0.1 g/cm3(Predicted)
저장 조건: Keep in dark place,Sealed in dry,Room Temperature
물리적 상태: powder to crystal
산도 계수 (pKa): 0.17 · 0.17±0.10(Predicted)
색상: 흰색에서 거의 흰색
InChI: 1S/C11H15BClNO2/c1-10(2)11(3,4)16-12(15-10)8-5-6-9(13)14-7-8/h5-7H,1-4H3
InChIKey: IEFBTHROULVUAH-UHFFFAOYSA-N
SMILES: CC1(C)OB(OC1(C)C)c2ccc(Cl)nc2

화학적 성질

White to light yellow crystal powder

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H315 (16.7%): 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 48 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.