5-(Tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine-3-carbaldehyde

HCID 4992640

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 848093-29-8
표준 SMILES: CC1(C)OB(c2cncc(C=O)c2)OC1(C)C
InChIKey: WVIMCYHOZKNOCS-UHFFFAOYSA-N
분자식: C12H16BNO3
평균 분자량: 233.07 g/mol
단동위원소 질량: 233.12232377

이름 및 식별자

우선 이름: 5-(Tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine-3-carbaldehyde
IUPAC: 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine-3-carbaldehyde
영어명: 5-Formylpyridine-3-boronic acid pinacol ester
분자식: C12H16BNO3
분자량: 233.07

이름 및 동의어

5-(tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine-3-carbaldehydeRefChem:531685810-556-3848093-29-85-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)nicotinaldehyde5-Formylpyridine-3-boronic acid pinacol ester5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine-3-carbaldehydeMFCD04038759SCHEMBL522165SCHEMBL30639721DTXSID70407325WVIMCYHOZKNOCS-UHFFFAOYSA-N

이름 더 보기

5-Formyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine3-hydroxy-2,3-dimethylbutan-2-yl hydrogen (5-formylpyridin-3-yl)boronate3-Pyridinecarboxaldehyde, 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine-3-carbaldehyde - [T13745]5-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)nicotinaldehyde, 5-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine-3-carboxaldehyde, 3-Formyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridi ne

YIB093295-(4,4,5,5-Tetramethyl-[1,3,2]dioxaborolan-2-yl)-pyridine-3-carbaldehydeAKOS015950196AB17198AC-33448DS-14896SY0205715-formylpyridin-3-boronic acid pinacol ester

데이터베이스 식별자

CAS: 848093-29-8
PubChem CID: 4992640
DTXSID: DTXSID70407325
EC Number: 810-556-3

물성

구조 계산 물성

극성 표면적: 48.4 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 4
회전 가능 결합 수: 2
무거운 원자 수: 17
형식 전하: 0
복잡도: 290

물리화학적 성질

끓는 점: 365.1 · 365.1±27.0 °C(Predicted)
밀도: 1.1 · 1.10
저장 조건: 2 · 2-8°C, stored under nitrogen
물리적 상태: 고체
산도 계수 (pKa): 3.42 · 3.42±0.22(Predicted)
색상: 연한 갈색

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 3 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.