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

HCID 304556CAS 27568-04-3

기본 정보

표준 SMILES: CCOC(=O)c1c[nH]c2c(OC)cccc2c1=O
InChIKey: HCYNWEIHLHVPEW-UHFFFAOYSA-N
분자식: C13H13NO4
평균 분자량: 247.25 g/mol
단동위원소 질량: 247.0844579

이름 및 식별자

우선 이름: Ethyl 4-hydroxy-8-methoxyquinoline-3-carboxylate
IUPAC: ethyl 8-methoxy-4-oxo-1H-quinoline-3-carboxylate
영어명: 4-Hydroxy-8-methoxy-quinoline-3-carboxylic acid ethyl ester
분자식: C13H13NO4
분자량: 247.25

이름 및 동의어

Ethyl 4-hydroxy-8-methoxyquinoline-3-carboxylateRefChem:595444803-472-327568-04-371082-34-3Ethyl 8-methoxy-4-oxo-1,4-dihydroquinoline-3-carboxylateAURORA 17729ethyl 8-methoxy-4-oxo-1H-quinoline-3-carboxylate8-Methoxy-4-oxo-1,4-dihydro-quinoline-3-carboxylic acid ethyl ester4-Hydroxy-8-methoxyquinoline-3-carboxylic acid ethyl esterMFCD018294123-Quinolinecarboxylic acid, 4-hydroxy-8-methoxy-, ethyl ester

이름 더 보기

NSC 196905BUTTPARK 20\09-65ETHYL 4-HYDROXY-8-METHOXY-3-QUINOLINECARBOXYLATE2-ethyl-8-methoxy-4-oxo-1H-quinoline-3-carboxylateEthyl 1,4-dihydro-8-methoxy-4-oxoquinoline-3-carboxylate4-keto-8-methoxy-1H-quinoline-3-carboxylic acid ethyl ester

MFCD001733824-Hydroxy-8-methoxy-quinoline-3-carboxylic acid ethyl esterNSC196905Oprea1_108159Oprea1_177673Oprea1_292837SCHEMBL774558SCHEMBL4721440

데이터베이스 식별자

CAS: 27568-04-3
PubChem CID: 304556
DTXSID: DTXSID80950236
EC Number: 803-472-3

물성

구조 계산 물성

XLogP: 2
극성 표면적: 64.6 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 5
회전 가능 결합 수: 4
무거운 원자 수: 18
형식 전하: 0
복잡도: 377

물리화학적 성질

끓는 점: 373.2 · 373.2±37.0 °C(Predicted)
밀도: 1.277 · 1.277
저장 조건: Sealed in dry,Room Temperature
물리적 상태: solid
산도 계수 (pKa): 2.72 · 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

GHS Classification · 4건

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.

유해성 정보

Hazard Classes and CategoriesEye Irrit. 2A (100%)

안전 데이터

wgk: 3
HS 번호: 29334900
risk_code: 36
hazard_code: Xi
safety_code: 26-24/25
Hazard Classifications: Eye Irrit. 2
스토리지 클래스: 11 - Combustible Solids

화학 및 산업

상·하류 제품 정보

상류 원료

공급사50 곳

南京波普生物医药研发有限公司025-87138562 18951783565 · [email protected]

Suzhou Victorypharm Co.,Ltd.+86-13916956214 · [email protected]

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

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

苏州维塔力生物医药有限公司512-68242903 13916956214 · [email protected]

연결된 노트

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