Ethyl 4-hydroxy-8-methoxyquinoline-3-carboxylate

NSC 196905 · BUTTPARK 20\09-65 · ethyl 8-methoxy-4-oxo-1H-quinoline-3-carboxylate · ETHYL 4-HYDROXY-8-METHOXYQUINOLINE-3-CARBOXYLATE · ETHYL 4-HYDROXY-8-METHOXY-3-QUINOLINECARBOXYLATE · 2-ethyl-8-methoxy-4-oxo-1H-quinoline-3-carboxylate · Ethyl 8-methoxy-4-oxo-1,4-dihydroquinoline-3-carboxylate · Ethyl 1,4-dihydro-8-methoxy-4-oxoquinoline-3-carboxylate

https://huagongshe.com/ko/chemical/304556

Ethyl 4-hydroxy-8-methoxyquinoline-3-carboxylate 분자 구조식

식별자 및 물리적 특성

CAS No.	27568-04-3
분자식	C13H13NO4
평균 분자량	247.25 g/mol
단동위원소 질량	247.0844579 g/mol
SMILES	CCOC(=O)c1c[nH]c2c(OC)cccc2c1=O
InChIKey	HCYNWEIHLHVPEW-UHFFFAOYSA-N
PubChem CID	304556
EC No.	803-472-3
DTXSID	DTXSID80950236

화학 및 물리적 성질

XLogP	2
극성 표면적	64.6
수소 결합 공여자 수	1
수소 결합 수용자 수	5
회전 가능 결합 수	4
무거운 원자 수	18
형식 전하	0
복잡도	377
끓는 점	373.2±37.0 °C(Predicted)
밀도	1.277
저장 조건	Sealed in dry,Room Temperature
물리적 상태	solid
pKa(산도 계수)	2.72±0.50(Predicted)
InChI	1S/C13H13NO4/c1-3-18-13(16)9-7-14-11-8(12(9)15)5-4-6-10(11)17-2/h4-7H,3H2,1-2H3,(H,14,15)
InChIKey	HCYNWEIHLHVPEW-UHFFFAOYSA-N
SMILES	CCOC(=O)c1cnc2c(OC)cccc2c1O

화학적 성질

Off-white solid

안전 및 규제

GHS 분류	WarningH319 (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.
Hazard Classes and Categories	Eye Irrit. 2A (100%)
수질 위해 등급(WGK)	3
관세 코드	29334900
위험 문구(R)	36
위험 표시	Xi
안전 문구(S)	26-24/25
위험 등급	Eye Irrit. 2
저장 분류	11 - Combustible Solids