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기본 정보
- CAS
122794-99-4- 표준 SMILES
CCOC(=O)c1c[nH]c2ccc(Br)cc2c1=O- InChIKey
IVZIOBTVAJBBAS-UHFFFAOYSA-N- 분자식
- C12H10BrNO3
- 평균 분자량
- 296.12 g/mol
- 단동위원소 질량
- 294.98441
이름 및 식별자
- 우선 이름
- Ethyl 6-bromo-4-oxo-1,4-dihydroquinoline-3-carboxylate
- IUPAC
- ethyl 6-bromo-4-oxo-1H-quinoline-3-carboxylate
- 현지명
- 에틸6-broMo-4-옥소-1,4-디히드로퀴놀린-3-카르복실레이트
- 영어명
- ethyl 6-broMo-4-oxo-1,4-dihydroquinoline-3-carboxylate
- 분자식
- C12H10BrNO3
- 분자량
- 296.12
이름 및 동의어
79607-23-1ethyl 6-bromo-4-oxo-1,4-dihydroquinoline-3-carboxylateDTXSID70351071RefChem:595926DTXCID60302138815-631-4122794-99-4ethyl 6-bromo-4-hydroxyquinoline-3-carboxylateethyl 6-bromo-4-oxo-1H-quinoline-3-carboxylate6-Bromo-4-hydroxyquinoline-3-carboxylic acid ethyl esterEthyl 6-bromo-4-hydroxy-3-quinolinecarboxylate3-QUINOLINECARBOXYLIC ACID, 6-BROMO-4-HYDROXY-, ETHYL ESTER
이름 더 보기
에틸6-broMo-4-옥소-1,4-디히드로퀴놀린-3-카르복실레이트ETHYL 6-BROMO-4-OXO-1,4-DIHYDRO-3-QUINOLINECARBOXYLATEethyl 6-broMo-4-oxo-1,4-dihydroquinoline-3-carboxylate-36-Bromo-1,4-dihydro-4-oxo-3-quinolinecarboxylic acid ethyl ester3-Quinolinecarboxylic acid, 6-bromo-1,4-dihydro-4-oxo-, ethyl ester
MFCD00173362CHEMBL2052576-Bromo-4-oxo-1,4-dihydro-quinoline-3-carboxylic acid ethyl esterCS-M1121AB7148BDBM50185293ETHYL6-BROMO-4-HYDROXYQUINOLINE-3-CARBOXYLATEPB14138
데이터베이스 식별자
- CAS
122794-99-4、79607-23-1- PubChem CID
- 689824
- DTXSID
DTXSID70351071- ChEMBL
CHEMBL205257- UNII
- 9H26696PMU
- EC Number
- 802-658-1、815-631-4
- Nikkaji
- J3.478.571F
물성
구조 계산 물성보충 중
- XLogP
- 2.7
- 극성 표면적
- 55.4 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 4
- 회전 가능 결합 수
- 3
- 무거운 원자 수
- 17
- 형식 전하
- 0
- 복잡도
- 367
물리화학적 성질
- 녹는점
- 320 · 320-322 °C
- 끓는 점
- 394.4 · 394.4±42.0 °C(Predicted)
- 밀도
- 1.555 · 1.555±0.06 g/cm3(Predicted)
- 저장 조건
- Sealed in dry,Room Temperature
- 산도 계수 (pKa)
- 0.24 · 0.24±0.70(Predicted)
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
Warning
H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
P264+P265, P280, P305+P351+P338, and P337+P317 (click each P-code to see the statement)
Aggregated GHS information provided per 39 reports by companies from 2 notifications to the ECHA C&L Inventory.；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 Categories
Acute Tox. 4 (50%)；Skin Irrit. 2 (100%)；Eye Irrit. 2 (100%)；STOT SE 3 (100%)；Aquatic Chronic 3 (50%)
Eye Irrit. 2 (100%)
안전 데이터
- HS 번호
- 2933499090
화학 및 산업
공급사100 곳
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