Methyl 2-oxo-1,2-dihydropyridine-3-carboxylate

HCID 579028

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 10128-91-3
표준 SMILES: COC(=O)c1ccc[nH]c1=O
InChIKey: SILBTMNCGYLTOK-UHFFFAOYSA-N
분자식: C7H7NO3
평균 분자량: 153.14 g/mol
단동위원소 질량: 153.04259308

이름 및 식별자

우선 이름: Methyl 2-oxo-1,2-dihydropyridine-3-carboxylate
IUPAC: methyl 2-oxo-1H-pyridine-3-carboxylate
영어명: Methyl 2-oxo-1,2-dihydro-3-pyridinecarboxylate
분자식: C7H7NO3
분자량: 153.14

이름 및 동의어

methyl 2-oxo-1,2-dihydropyridine-3-carboxylateRefChem:814572692-281-7methyl 2-hydroxynicotinate10128-91-3Methyl 2-oxo-1,2-dihydro-3-pyridinecarboxylate67383-31-7methyl 2-hydroxypyridine-3-carboxylatemethyl 2-oxo-1H-pyridine-3-carboxylateMFCD00661282MFCD082750552-Hydroxy-nicotinic acid methyl ester

이름 더 보기

SPECS AE-508/36398048Methyl2-hydroxynicotinate,97%Methyl 6-hydroxypyridin-3-carboxylate1,2-Dihydro-3-(methoxycarbonyl)-2-oxopyridineMethyl 2-oxo-l,2-dihydropyridine-3-carboxylateMethyl 1,2-dihydro-2-oxopyridine-3-carboxylateMETHYL 2-OXO-1,2-DIHYDRO-3-PYRIDINECARBOXYLATE ISO 9001：2015 REACH

2-hydroxynicotinic acid methyl ester3-Pyridinecarboxylic acid, 1,2-dihydro-2-oxo-, methyl esterSCHEMBL107721DTXSID40906037AKOS005070599AKOS006241744CS-W007840AB44640

데이터베이스 식별자

CAS: 10128-91-3
PubChem CID: 579028
DTXSID: DTXSID40906037
EC Number: 692-281-7
Nikkaji: J496.406C

물성

구조 계산 물성

XLogP: 0.3
극성 표면적: 55.4 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 3
회전 가능 결합 수: 2
무거운 원자 수: 11
형식 전하: 0
복잡도: 252

물리화학적 성질

녹는점: 115 · 115-118°C
끓는 점: 367.6 · 367.6±42.0 °C(Predicted)
밀도: 1.263 · 1.263±0.06 g/cm3(Predicted)
저장 조건: Inert atmosphere,Room Temperature
산도 계수 (pKa): 10.07 · 10.07±0.10(Predicted)
물리적 상태: 고체
색상: 크림색

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H302+H312+H332 (33.3%): Harmful if swallowed, in contact with skin or if inhaled [Warning Acute toxicity, oral; acute toxicity, dermal; acute toxicity, inhalation]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+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 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 CategoriesAcute Tox. 4 (33.3%)

안전 데이터

HS 번호: 2933399990
위험 등급: IRRITANT

화학 및 산업

응용 분야

용도Methyl 2-oxo-1,2-dihydro-3-pyridinecarboxylate is a crucial compound that could be used as a pharmaceutical intermediate in pharmaceutical synthesis and scientific research.