에틸4-클로로-6-메톡시-퀴놀린-3-카르복실레이트

Ethyl 4-chloro-6-methoxyquinoline-3-carboxylate

HCID 304558

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 22931-71-1
표준 SMILES: CCOC(=O)c1cnc2ccc(OC)cc2c1Cl
InChIKey: QURGQUFEJWWDRF-UHFFFAOYSA-N
분자식: C13H12ClNO3
평균 분자량: 265.69 g/mol
단동위원소 질량: 265.0505709

이름 및 식별자

우선 이름: Ethyl 4-chloro-6-methoxyquinoline-3-carboxylate
IUPAC: ethyl 4-chloro-6-methoxyquinoline-3-carboxylate
현지명: 에틸4-클로로-6-메톡시-퀴놀린-3-카르복실레이트
영어명: ethyl 4-chloro-6-methoxy-quinoline-3-carboxylate
분자식: C13H12ClNO3
분자량: 265.69

이름 및 동의어

ethyl 4-chloro-6-methoxyquinoline-3-carboxylateDTXSID30307938RefChem:595387DTXCID90259065803-412-622931-71-1MFCD001734174-Chloro-6-methoxyquinoline-3-carboxylic acid ethyl esterEthyl 4-chloro-6-methoxy-quinoline-3-carboxylateGNF-Pf-35513-Quinolinecarboxylic acid, 4-chloro-6-methoxy-, ethyl esterethyl 4chloro-6methoxyquinoline-3-carboxylate

이름 더 보기

에틸4-클로로-6-메톡시-퀴놀린-3-카르복실레이트3-Carbethoxy-4-chloro-6-methoxyquinoline4-Chloro-6-methoxy-quinoline-3-carboxylic acid ethyl ester

6J-071SR-01000453170SR-01000453170-13-CarbethNSC196908FT-0646041Ethyl4-chloro-6-methoxyquinoline-3-carboxylateEthyl 4-chloro-6-methoxy-3-quinolinecarboxylate

데이터베이스 식별자

CAS: 22931-71-1
PubChem CID: 304558
DTXSID: DTXSID30307938
ChEMBL: CHEMBL601324
EC Number: 803-412-6

물성

구조 계산 물성

XLogP: 3
극성 표면적: 48.4 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 4
회전 가능 결합 수: 4
무거운 원자 수: 18
형식 전하: 0
복잡도: 300

물리화학적 성질

녹는점: 88 · 88-90℃
저장 조건: Store at room temperature
물리적 상태: solid
InChI: 1S/C13H12ClNO3/c1-3-18-13(16)10-7-15-11-5-4-8(17-2)6-9(11)12(10)14/h4-7H,3H2,1-2H3
InChIKey: QURGQUFEJWWDRF-UHFFFAOYSA-N
SMILES: CCOC(=O)c1cnc2ccc(OC)cc2c1Cl

안전 및 규제

GHS 분류

GHS Classification · 5건

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 40 reports by companies from 3 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 CategoriesEye Irrit. 2A (100%)

안전 데이터

wgk: 3
HS 번호: 2933499090
risk_code: 36
hazard_code: Xi
safety_code: 26
Hazard Classifications: Eye Irrit. 2
스토리지 클래스: 11 - Combustible Solids

화학 및 산업

응용 분야

용도Ethyl 4-chloro-6-methoxyquinoline-3-carboxylate is an important organic intermediate. It can be used in agrochemical, pharmaceutical and dyestuff field.