2-포르밀피리디닐-5-보론산피나콜에스테르

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

HCID 44754839

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 1073354-14-9
표준 SMILES: CC1(C)OB(c2ccc(C=O)nc2)OC1(C)C
InChIKey: FCWAOWVIYGJOPZ-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-2-carbaldehyde
IUPAC: 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine-2-carbaldehyde
현지명: 2-포르밀피리디닐-5-보론산피나콜에스테르
영어명: 2-FORMYLPYRIDINE-5-BORONIC ACID PINACOLATE
분자식: C12H16BNO3
분자량: 233.07

이름 및 동의어

5-(tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine-2-carbaldehydeRefChem:531684871-400-81073354-14-95-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)picolinaldehyde2-Formylpyridinyl-5-boronic acid pinacol ester2-FORMYLPYRIDINE-5-BORONIC ACID PINACOLATE5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine-2-carbaldehydeMFCD066595086-FORMYLPYRIDINE-3-BORONIC ACID, PINACOL ESTER2-FORMYLPYRIDINE-5-BORONIC ACID PINACOL ESTER6-Formylpyridine-3-boronic Acid Pinacol Ester

이름 더 보기

2-포르밀피리디닐-5-보론산피나콜에스테르2-formylpyridine-5-boronic acidolester2-Formylpyridin-5-ylboronic acid pinacolate2-dioxaborolan-2-yl)pyridine-2-carbaldehyde2-FORMYL-5-PYRIDINE BORONIC ACID PINACOL ESTER5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolane-2-yl)picolinaldehyde

SCHEMBL9929090(6-FORMYLPYRIDIN-3-YL)BORONIC ACID PINACOL ESTERDTXSID70660539FCWAOWVIYGJOPZ-UHFFFAOYSA-NXH0342AKOS015996075AB25951GS-5878

데이터베이스 식별자

CAS: 1073354-14-9
PubChem CID: 44754839
DTXSID: DTXSID70660539
EC Number: 871-400-8

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: 345.5 · 345.5±27.0 °C(Predicted)
밀도: 1.1 · 1.10±0.1 g/cm3(Predicted)
저장 조건: 2 · under inert gas (nitrogen or Argon) at 2-8°C
산도 계수 (pKa): 3.71 · 3.71±0.12(Predicted)
InChI: InChI=1S/C12H16BNO3/c1-11(2)12(3,4)17-13(16-11)9-5-6-10(8-15)14-7-9/h5-8H,1-4H3
InChIKey: FCWAOWVIYGJOPZ-UHFFFAOYSA-N
SMILES: C1(C=O)=NC=C(B2OC(C)(C)C(C)(C)O2)C=C1

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)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.