1-Methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2(1H)-one

HCID 45480194

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 1002309-52-5
표준 SMILES: Cn1cc(B2OC(C)(C)C(C)(C)O2)ccc1=O
InChIKey: IJUNZKOKAXJGRQ-UHFFFAOYSA-N
분자식: C12H18BNO3
평균 분자량: 235.09 g/mol
단동위원소 질량: 235.13797384

이름 및 식별자

우선 이름: 1-Methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2(1H)-one
IUPAC: 1-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-one
영어명: 2(1H)-PYRIDINONE, 1-METHYL-5-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)-
분자식: C12H18BNO3
분자량: 235.09

이름 및 동의어

1002309-52-51-Methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2(1H)-one1-Methyl-5-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)-1H-pyridin-2-one1-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-oneMFCD110446831-methyl-5-(tetramethyl-1,3,2-dioxaborolan-2-yl)-1,2-dihydropyridin-2-one2(1H)-PYRIDINONE, 1-METHYL-5-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)-1-Methyl-6-oxo-1,6-dihydropyridine-3-boronic acid pinacol esterN-METHYL-1H-PYRIDIN-2-ONE-5-BORONIC ACID, PINACOL ESTERSCHEMBL506071DTXSID70670234IJUNZKOKAXJGRQ-UHFFFAOYSA-N

이름 더 보기

1-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyri...1-methyl-6-oxo-1,6-dihydropyridin-3-ylboronic acid pinacol ester1-METHYL-5-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)-2(1H)-PYRIDINONE

N-METHYL-1H-PYRIDIN-2-ON-METHYL-1H-PYRIDIN-2-ONE-5-BORONIC ACID PINACOL ESTER(1-METHYL-6-OXO-1,6-DIHYDROPYRIDIN-3-YL)BORONIC ACID PINACOL ESTERAKOS015850767CS-W004791PB23856DS-15886SY032836

데이터베이스 식별자

CAS: 1002309-52-5
PubChem CID: 45480194
DTXSID: DTXSID70670234
EC Number: 800-849-4

물성

구조 계산 물성

극성 표면적: 38.8 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 3
회전 가능 결합 수: 1
무거운 원자 수: 17
형식 전하: 0
복잡도: 396

물리화학적 성질

끓는 점: 287.1 · 287.1±50.0 °C(Predicted)
밀도: 1.09 · 1.09±0.1 g/cm3(Predicted)
저장 조건: -20 °C · Inert atmosphere,Store in freezer, under -20°C
산도 계수 (pKa): 0.03 · 0.03±0.62(Predicted)
물리적 상태: 고체
색상: 베이지색
InChI: InChI=1S/C12H18BNO3/c1-11(2)12(3,4)17-13(16-11)9-6-7-10(15)14(5)8-9/h6-8H,1-5H3
InChIKey: IJUNZKOKAXJGRQ-UHFFFAOYSA-N
SMILES: C1(=O)N(C)C=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)

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.

유해성 정보

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

안전 데이터

HS 번호: 2933399990

화학 및 산업

상·하류 제품 정보

상류 원료

공급사85 곳

上海美律医药科技有限公司+86-53530655; +8613916485955 · [email protected]

PharmOrgSyn Laboratories Co., Ltd.+86-021-38228826 +86-13916602830 · [email protected]

苏州启航生物科技有限公司18151111370 · [email protected]

杭州品高化工有限公司0571-87658025 · [email protected]

上海凌凯科技股份有限公司58950110 13124863828 · [email protected]

화합물 노트

불러오는 중…