CAS 49679-45-0 Ethyl 3-Chloroquinoxaline-2-carboxylate (HCID 12283436)

기본 정보

CAS: 49679-45-0
표준 SMILES: CCOC(=O)c1nc2ccccc2nc1Cl
InChIKey: YGTZHKWLTOJGOI-UHFFFAOYSA-N
분자식: C11H9ClN2O2
평균 분자량: 236.65 g/mol
단동위원소 질량: 236.0352552

이름 및 식별자

우선 이름: Ethyl 3-Chloroquinoxaline-2-carboxylate
IUPAC: ethyl 3-chloroquinoxaline-2-carboxylate
현지명: 에틸3-클로로퀴녹살린-2-카르복실레이트
영어명: Ethyl 3-chloroquinoxaline-2-carboxylate
분자식: C11H9ClN2O2
분자량: 236.65

이름 및 동의어

Ethyl 3-Chloroquinoxaline-2-carboxylate49679-45-0DTXSID00484240RefChem:343379DTXCID00435050MFCD09953512SCHEMBL20195803-Chloroquinoxaline-2-carboxylic acidethyl esterCL1018AKOS005765945CS-W003698AB55349

이름 더 보기

에틸3-클로로퀴녹살린-2-카르복실레이트3-Chloroquinoxaline-2-carboxylic acid ethyl ester

AC-7195ETHYL3-CHLOROQUINOXALINE-2-CARBOXYLATE2-Quinoxalinecarboxylicacid,3-chloro-,ethyl esterZ17419741972-Quinoxalinecarboxylic acid, 3-chloro-, ethyl esterFT-0647631A247422-chloro-3-carbethoxy-quinoxaline

데이터베이스 식별자

CAS: 49679-45-0
PubChem CID: 12283436
DTXSID: DTXSID00484240
EC Number: 880-785-1
Nikkaji: J2.371.807C

물성

구조 계산 물성

XLogP: 2.7
극성 표면적: 52.1 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 4
회전 가능 결합 수: 3
무거운 원자 수: 16
형식 전하: 0
복잡도: 262

물리화학적 성질

녹는점: 41 · 41-42℃
끓는 점: 330.7 · 330.7±37.0 °C(Predicted)
밀도: 1.341 · 1.341
저장 조건: 2 · under inert gas (nitrogen or Argon) at 2-8°C
물리적 상태: solid
산도 계수 (pKa): -5.14 · -5.14±0.48(Predicted)
InChI: 1S/C11H9ClN2O2/c1-2-16-11(15)9-10(12)14-8-6-4-3-5-7(8)13-9/h3-6H,2H2,1H3
InChIKey: YGTZHKWLTOJGOI-UHFFFAOYSA-N
SMILES: O=C(OCC)C1=NC(C=CC=C2)=C2N=C1Cl

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 2 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.