기본 정보
- 표준 SMILES
CCOC(=O)c1c[nH]c2ccc(Cl)cc2c1=O- InChIKey
ABZXBXREXPKTCN-UHFFFAOYSA-N- 분자식
- C12H10ClNO3
- 평균 분자량
- 251.66 g/mol
- 단동위원소 질량
- 251.03492086
이름 및 식별자
- 우선 이름
- Ethyl 6-chloro-4-hydroxy-3-quinolinecarboxylate
- IUPAC
- ethyl 6-chloro-4-oxo-1H-quinoline-3-carboxylate
- 현지명
- 에틸6-클로로-4-히드록시퀴놀린-3-카르복실레이트
- 영어명
- Ethyl 6-chloro-4-hydroxyquinoline-3-carboxylate
- 분자식
- C12H10ClNO3
- 분자량
- 251.67
이름 및 동의어
ethyl 6-chloro-4-hydroxy-3-quinolinecarboxylateRefChem:595940668-315-1ethyl 6-chloro-4-hydroxyquinoline-3-carboxylate70271-77-1ethyl 6-chloro-4-oxo-1,4-dihydroquinoline-3-carboxylate79607-22-0ethyl 6-chloro-4-oxo-1H-quinoline-3-carboxylateMFCD018478166-Chloro-4-hydroxyquinoline-3-carboxylic acid ethyl esterETHYL 6-CHLORO-1,4-DIHYDRO-4-OXOQUINOLINE-3-CARBOXYLATEMFCD00173342
이름 더 보기
에틸6-클로로-4-히드록시퀴놀린-3-카르복실레이트BUTTPARK 18\09-65Ethyl 4-hydroxy-6-chloroquinoline-3-carboxylate4-Hydroxy-6-chloroquinoline-3-carboxylic acid ethyl ester6-CHLORO-4-HYDROXY-QUINOLINE-3-CARBOXYLIC ACID ETHYL ESTER
Maybridge1_003209Ethyl6-chloro-4-hydroxyquinoline-3-carboxylateOprea1_373223Oprea1_746353Oprea1_851756CHEMBL568918SCHEMBL1366633SCHEMBL10991178
데이터베이스 식별자
- CAS
70271-77-1、79607-22-0- PubChem CID
- 718113
- DTXSID
DTXSID30990485- ChEMBL
CHEMBL568918- EC Number
- 121-978-6、668-315-1
- Nikkaji
- J1.713.563E
물성
구조 계산 물성
- XLogP
- 2.6
- 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
- 저장 조건
- Store at room temperature
안전 및 규제
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 38 reports by companies from 1 notifications to the ECHA C&L Inventory.
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
유해성 정보
Hazard Classes and Categories
Eye Irrit. 2 (100%)
Acute Tox. 4 (100%)
안전 데이터
- HS 번호
- 2933499090
화학 및 산업
상·하류 제품 정보
상류 원료
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