CAS 610768-32-6 2-Methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine (HCID 16414272)

기본 정보

CAS: 610768-32-6
표준 SMILES: Cc1ccc(B2OC(C)(C)C(C)(C)O2)cn1
InChIKey: JEECGGXGHJUYMN-UHFFFAOYSA-N
분자식: C12H18BNO2
평균 분자량: 219.09 g/mol
단동위원소 질량: 219.14305922

이름 및 식별자

우선 이름: 2-Methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine
IUPAC: 2-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine
영어명: 2-Picoline-5-boronic acid pinacolate
분자식: C12H18BNO2
분자량: 219.09

이름 및 동의어

610768-32-62-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridineDTXSID30585996RefChem:263494DTXCID30536761804-761-72-Methylpyridine-5-boronic acid pinacol ester2-PICOLINE-5-BORONIC ACID PINACOL ESTER2-Picoline-5-boronic acid pinacolate2-methyl-5-(tetramethyl-1,3,2-dioxaborolan-2-yl)pyridineMFCD086696086-Methylpyridine-3-boronic acid pinacol ester

이름 더 보기

2-Methylpyridine-5-boroni...Pyridine, 2-methyl-5-(4,4,5,5-te6-Methyl-3-pyridylboronic Acid Pinacol Ester2-Methyl-5-pyridineboronic acid pinacol ester2-Picoline-5-boronic acid pinacol ester - [P3235]

SCHEMBL421122-Methylpyridine-5-boronic acid, pinacol esterEN300-2226382-picoline-5-boronic acid pinacol ester, AldrichCPRPyridine, 2-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-A25374(6-METHYLPYRIDIN-3-YL)BORONIC ACID PINACOL ESTERSCHEMBL31219310

데이터베이스 식별자

CAS: 610768-32-6

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: 252

물리화학적 성질

녹는점: 26 °C · 26 °C
끓는 점: 306.5 · 306.5±30.0 °C(Predicted)
밀도: 1.02 · 1.02±0.1 g/cm3(Predicted)
저장 조건: 2 · under inert gas (nitrogen or Argon) at 2-8°C
물리적 상태: powder to lump
산도 계수 (pKa): 5.94 · 5.94±0.12(Predicted)
색상: 흰색에서 밝은 노란색

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

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, P305+P354+P338, P317, 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.