4-메톡시-3-피롤린-2-온

4-methoxy-2,5-dihydro-1H-pyrrol-2-one

HCID 574769CAS 69778-83-2

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: COC1=CC(=O)NC1
InChIKey: TXKQBYYDTLOLHA-UHFFFAOYSA-N
분자식: C5H7NO2
평균 분자량: 113.11 g/mol
단동위원소 질량: 113.04767847

이름 및 식별자

우선 이름: 4-methoxy-2,5-dihydro-1H-pyrrol-2-one
IUPAC: 3-methoxy-1,2-dihydropyrrol-5-one
현지명: 4-메톡시-3-피롤린-2-온
영어명: 4-METHOXY-3-PYRROLIN-2-ONE
분자식: C5H7NO2
분자량: 113.11

이름 및 동의어

4-METHOXY-2,5-DIHYDRO-1H-PYRROL-2-ONERefChem:524514624-640-069778-83-24-Methoxy-3-pyrrolin-2-one4-Methoxy-1H-pyrrol-2(5H)-one4-Methoxy-1,5-dihydro-2H-pyrrol-2-one3-methoxy-1,2-dihydropyrrol-5-oneMFCD000715642H-Pyrrol-2-one, 1,5-dihydro-4-methoxy-1,5-Dihydro-4-methoxy-2H-pyrrol-2-one1-Cyclohexylpiperazine; 4-Cyclohexylpiperazine; N-Cyclohexylpiperazine

이름 더 보기

4-메톡시-3-피롤린-2-온4-Methoxy-3-pyrolin-2-one4-Methoxy-3-pyrrolin-2-one,99%4-METHOXY-3-PYRROLIN-2-ONE 99%4-METHOXY-1,5-DIHYDROPYRROL-2-ONE1,5-DIHYDRO-4-METHOXY-2H-PYRROL-2-ON1H-2-Pyrrolone, 4-methoxy-2,5-dihydro

SCHEMBL145648SCHEMBL993549CHEMBL2147272DTXSID10341673GEO-01727AKOS000813752AB02829CS-W005299

데이터베이스 식별자

CAS: 69778-83-2
PubChem CID: 574769
DTXSID: DTXSID10341673
ChEMBL: CHEMBL2147272
EC Number: 624-640-0
Nikkaji: J461.221C

물성

구조 계산 물성

XLogP: -0.7
극성 표면적: 38.3 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 2
회전 가능 결합 수: 1
무거운 원자 수: 8
형식 전하: 0
복잡도: 139

물리화학적 성질

녹는점: 129 · 129-132 °C(lit.)
끓는 점: 349.6 · 349.6±42.0 °C(Predicted)
밀도: 1.16 · 1.16±0.1 g/cm3(Predicted)
저장 조건: Sealed in dry,Room Temperature
산도 계수 (pKa): 13.13 · 13.13±0.40(Predicted)
BRN: 1524505 · 1524505

화학적 성질

white to yellow-beige crystals or

안전 및 규제

GHS 분류

GHS Classification · 5건

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract 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 44 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

유해성 정보

Hazard Classes and CategoriesSkin Irrit. 2 (100%)；Eye Irrit. 2 (100%)；STOT SE 3 (100%)

안전 데이터

wgk: 3
HS 번호: 29339900
risk_code: 36/37/38
hazard_code: Xi
safety_code: 26-36
위험 등급: IRRITANT

화학 및 산업

응용 분야

용도4-Methoxy-3-pyrrolin-2-one is a useful reagent for double-strand DNA cleavage by copper prodigiosin.

상·하류 제품 정보

상류 원료

Methanediol, methoxy- (9CI)2-Butenoic acid, 4-chloro-3-methoxy-, methyl ester, (2Z)-3H-Pyrrol-3-one, 1,2-dihydro-5-methoxy-2-Butenoic acid, 4-bromo-3-methoxy-, methyl ester, (2Z)-2-Butenoic acid, 4-bromo-3-methoxy-, methyl ester, (2E)-에틸4-브로모-3-메톡시BUT-2-ENOATE 2-Butenoic acid, 4-bromo-3-methoxy-, ethyl ester, (2E)-2,4-피롤리딘디온 (E)-3-메톡시-2-부텐산메틸에스테르 METHYL (E)-4-CHLORO-3-METHOXY-2-BUTENOATE

하류 제품

EthanaMine,N-[(5-broMo-3-메톡시-2H-피롤-2-일리덴)메틸]-N-에틸-

공급사50 곳

国药集团化学试剂有限公司86-21-63210123 · [email protected]

毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]

Henan Rane Chemical Co., Ltd.+86-18738066252 · [email protected]

Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]

北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]

연결된 노트

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