에틸4-클로로-3-퀴놀린카르복실레이트

Ethyl 4-Chloroquinoline-3-carboxylate

HCID 268963CAS 13720-94-0

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: CCOC(=O)c1cnc2ccccc2c1Cl
InChIKey: DWXQUAHMZWZXHP-UHFFFAOYSA-N
분자식: C12H10ClNO2
평균 분자량: 235.66 g/mol
단동위원소 질량: 235.04000624

이름 및 식별자

우선 이름: Ethyl 4-Chloroquinoline-3-carboxylate
IUPAC: ethyl 4-chloroquinoline-3-carboxylate
현지명: 에틸4-클로로-3-퀴놀린카르복실레이트
영어명: ETHYL 4-CHLORO-3-QUINOLINECARBOXYLATE
분자식: C12H10ClNO2
분자량: 235.67

이름 및 동의어

Ethyl 4-Chloroquinoline-3-carboxylateDTXSID00296461RefChem:595400DTXCID00247599802-791-513720-94-0ETHYL 4-CHLORO-3-QUINOLINECARBOXYLATEMFCD001734074-Chloroquinoline-3-carboxylic acid ethyl ester3-Quinolinecarboxylic acid, 4-chloro-, ethyl esterSCHEMBL776014NSC-136916

이름 더 보기

에틸4-클로로-3-퀴놀린카르복실레이트NSC 136916NSC 109461AURORA 181254-CHLORO-3-QUINOLINECARBOXYLATE4-CHLORO-QUINOLINE-3-CARBOXYLIC ACID ETHYL ESTER4-chloro-3-Quinolinecarboxylic acid ethyl ester (6CI 8CI 9CI ACI)3-Quinolinecarboxylic acid, 4-chloro-, ethyl ester (6CI, 8CI, 9CI, ACI)

AC-2908Ethyl 4-chloro-quinoline-3-carboxylateSY003320ETHYL4-CHLOROQUINOLINE-3-CARBOXYLATE6J-051Ethyl 4-chloroquinoline-3-carboxylate, AldrichCPRBioneNSC136916

데이터베이스 식별자

CAS: 13720-94-0
PubChem CID: 268963
DTXSID: DTXSID00296461
EC Number: 802-791-5
Nikkaji: J2.289.079D

물성

구조 계산 물성

XLogP: 3
극성 표면적: 39.2 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 3
회전 가능 결합 수: 3
무거운 원자 수: 16
형식 전하: 0
복잡도: 259

물리화학적 성질

녹는점: 46 · 46-48°C
끓는 점: 128 · 128-129 °C(Press: 0.2 Torr)
밀도: 1.286 · 1.286
저장 조건: -20 °C · Storage temp. -20°C
산도 계수 (pKa): 1.78 · 1.78±0.24(Predicted)
물리적 상태: powder to crystal
색상: White to Orange to Green
InChI: 1S/C12H10ClNO2/c1-2-16-12(15)9-7-14-10-6-4-3-5-8(10)11(9)13/h3-7H,2H2,1H3
InChIKey: DWXQUAHMZWZXHP-UHFFFAOYSA-N
SMILES: CCOC(=O)c1cnc2ccccc2c1Cl

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H315 (97.5%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (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. Each notification may be associated with multiple companies.