2,4-Dimethoxypyrimidine-5-boronic acid pinacol ester

HCID 16218388

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 936250-17-8
표준 SMILES: COc1ncc(B2OC(C)(C)C(C)(C)O2)c(OC)n1
InChIKey: RKHZHTLJEUBARP-UHFFFAOYSA-N
분자식: C12H19BN2O4
평균 분자량: 266.1 g/mol
단동위원소 질량: 266.14378749

이름 및 식별자

우선 이름: 2,4-Dimethoxypyrimidine-5-boronic acid pinacol ester
IUPAC: 2,4-dimethoxy-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrimidine
영어명: 2,4-Dimethoxy-5-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)-pyrimidine
분자식: C12H19BN2O4
분자량: 266.1

이름 및 동의어

2,4-Dimethoxypyrimidine-5-boronic acid pinacol esterRefChem:443706623-079-9936250-17-82,4-Dimethoxy-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrimidineMFCD067956542,4-Dimethoxypyrimidine-5-boronic acid, pinacol ester2,4-DIMETHOXY-5-(4,4,5,5-TETRAMETHYL-[1,3,2]DIOXABOROLAN-2-YL)-PYRIMIDINE2,6-Dimethoxy-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrimidineSCHEMBL1182019DTXSID10584922RKHZHTLJEUBARP-UHFFFAOYSA-N

이름 더 보기

2,4-Dimethoxypyrimidine-5-boronic acid pinacol ester, 97%,2,4-dimethoxy-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl...2,4-diMethoxy-5-(tetraMethyl-1,3,2-dioxaborolan-2-yl)pyriMidine2,4-dimethoxy-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-3-yl)pyrimidine2-(2,4-Dimethoxypyrimidin-5-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolanePyrimidine, 2,4-dimethoxy-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2,4-dimethoxy-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrimidine - [D87980]2,4-Dimethoxy-5-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)-pyrimidine ISO 9001：2015 REACH

AKOS015960068AB29178AC-33469AS-55779FD161242SY110310DB-226833CS-0173749

데이터베이스 식별자

CAS: 936250-17-8
PubChem CID: 16218388
DTXSID: DTXSID10584922
EC Number: 623-079-9

물성

구조 계산 물성

극성 표면적: 62.7 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 6
회전 가능 결합 수: 3
무거운 원자 수: 19
형식 전하: 0
복잡도: 311

물리화학적 성질

끓는 점: 397.4 · 397.4±52.0 °C(Predicted)
밀도: 1.13 · 1.13±0.1 g/cm3 (20 ºC 760 Torr)
저장 조건: 2 · under inert gas (nitrogen or Argon) at 2-8°C
산도 계수 (pKa): 2.43 · 2.43±0.29(Predicted)

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 41 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.