2-클로로퀴놀린-3-붕소산

2-Chloroquinoline-3-boronic acid

HCID 4198643

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 128676-84-6
표준 SMILES: OB(O)c1cc2ccccc2nc1Cl
InChIKey: JAQXYUOPSOXQCG-UHFFFAOYSA-N
분자식: C9H7BClNO2
평균 분자량: 207.42 g/mol
단동위원소 질량: 207.02583654

이름 및 식별자

우선 이름: 2-Chloroquinoline-3-boronic acid
IUPAC: (2-chloroquinolin-3-yl)boronic acid
현지명: 2-클로로퀴놀린-3-붕소산
영어명: 2-Chloroquinoline-3-boronic acid
분자식: C9H7BClNO2
분자량: 207.42

이름 및 동의어

2-Chloroquinoline-3-boronic acid128676-84-6DTXSID90400737RefChem:259570DTXCID90351593(2-chloroquinolin-3-yl)boronic Acid2-Chloroquinolin-3-boronic acid2-Chloroquinolin-3-ylboronic acidMFCD01114675Boronic acid, B-(2-chloro-3-quinolinyl)-AKOS004116513AB08332

이름 더 보기

2-클로로퀴놀린-3-붕소산2-Chloroquinoline-3-boronicaci2-chlorquinoline-3-boronic acid2-CHLORO-3-QUINOLYL BORONIC ACID(2-chloroquinolin-3-yl)boranediol

2-Chloro-3-quinolineboronic acid, >=95%akos brn-02093-Borono-2-chloroquinoline2-Chloroquinoline-3-boronicacid(2-chloro-3-quinolyl)boronic acid2 - Chloro - 3 - quinolineboronic acid2-chloro-3-quinoline boronic acidAMY17915

데이터베이스 식별자

CAS: 128676-84-6
PubChem CID: 4198643
DTXSID: DTXSID90400737
EC Number: 681-188-7
Nikkaji: J277.190J

물성

구조 계산 물성

극성 표면적: 53.4 Å²
수소 결합 공여자 수: 2
수소 결합 수용자 수: 3
회전 가능 결합 수: 1
무거운 원자 수: 14
형식 전하: 0
복잡도: 205

물리화학적 성질

녹는점: 144 · 144-147℃
끓는 점: 426.2 · 426.2±55.0 °C(Predicted)
밀도: 1.42 · 1.42±0.1 g/cm3(Predicted)
저장 조건: 2 · Inert atmosphere,2-8°C
산도 계수 (pKa): 5.62 · 5.62±0.30(Predicted)
InChI: InChI=1S/C9H7BClNO2/c11-9-7(10(13)14)5-6-3-1-2-4-8(6)12-9/h1-5,13-14H
InChIKey: JAQXYUOPSOXQCG-UHFFFAOYSA-N
SMILES: B(C1=CC2C(N=C1Cl)=CC=CC=2)(O)O

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H315 (100%): 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 4 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.