CAS 408502-23-8 2-Methoxy-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine (HCID 44754862)

기본 정보

CAS: 408502-23-8
표준 SMILES: COc1cc(B2OC(C)(C)C(C)(C)O2)ccn1
InChIKey: RLHAGSICYJAHMN-UHFFFAOYSA-N
분자식: C12H18BNO3
평균 분자량: 235.09 g/mol
단동위원소 질량: 235.1379736

이름 및 식별자

우선 이름: 2-Methoxy-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine
IUPAC: 2-methoxy-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine
영어명: 2-METHOXYLYPYRIDINE-4-BORONIC ACID PINACOLATE
분자식: C12H18BNO3
분자량: 235.09

이름 및 동의어

408502-23-82-methoxy-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridineDTXSID10660553RefChem:262553DTXCID50611302696-475-22-METHOXYPYRIDINE-4-BORONIC ACID PINACOL ESTER2-Methoxypyridine-4-boronic acid, pinacol esterMFCD073688672-METHOXYLYPYRIDINE-4-BORONIC ACID PINACOLATE2-methoxy-4-(tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine2-Methoxy-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;2-Methoxypyridine-4-boronic acid pinacol ester

이름 더 보기

2-methoxypyridine-4-borate acid2-methoxypyridine-4-boronic acid pinacolate2-Methoxy-4-pyridylboronic Acid Pinacol Ester2-Methoxylypyrinine-4-boronic acid pinacolate2-Methoxypyridine-4-boronic acid, pinacol ester 97%2-(2-Methoxy-4-pyridyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

2-Methoxypyridine-4-boronicAcidPinacolEsterPyridine, 2-methoxy-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-SCHEMBL132871SCHEMBL29674232RLHAGSICYJAHMN-UHFFFAOYSA-NAKOS007930490AB32115CS-W005511

물성

구조 계산 물성

극성 표면적: 40.6 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 4
회전 가능 결합 수: 2
무거운 원자 수: 17
형식 전하: 0
복잡도: 267

물리화학적 성질

녹는점: 36 °C · 36 °C
끓는 점: 329.1 · 329.1±27.0 °C(Predicted)
밀도: 1.06 · 1.06±0.1 g/cm3(Predicted)
저장 조건: -20 °C · Inert atmosphere,Store in freezer, under -20°C
용해도: 메탄올에 용해됨
물리적 상태: powder to lump
산도 계수 (pKa): 2.56 · 2.56±0.10(Predicted)
색상: 흰색에서 거의 흰색

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H302 (25%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 4 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.