Quinolin-5-ylboronic acid

HCID 5153389

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 355386-94-6
표준 SMILES: OB(O)c1cccc2ncccc12
InChIKey: NWIJBOCPTGHGIK-UHFFFAOYSA-N
분자식: C9H8BNO2
평균 분자량: 172.98 g/mol
단동위원소 질량: 173.0648089

이름 및 식별자

우선 이름: Quinolin-5-ylboronic acid
IUPAC: quinolin-5-ylboronic acid
영어명: Quinoline-5-boronic acid
분자식: C9H8BNO2
분자량: 172.98

이름 및 동의어

Quinolin-5-ylboronic AcidRefChem:871967670-357-0Quinoline-5-boronic acid355386-94-65-Quinolineboronic acid5-quinolinylboronic acidquinolin-5-yl-5-boronic acidMFCD03095058(quinolin-5-yl)boronic acid5-quinolylboronic acidBORONIC ACID, 5-QUINOLINYL-

이름 더 보기

AKOS BRN-06815-BoronoquinolineCHEMBRDG-BB 42020925-QUINOLINBORONIC ACIDQuionoline-5-Boronic Acid

Boronic acid, B-5-quinolinyl-quinolin-5-yl-5-boSCHEMBL20346DTXSID90408935AB13438AC-6959PS-9467SY003941

데이터베이스 식별자

CAS: 355386-94-6
PubChem CID: 5153389
DTXSID: DTXSID90408935
EC Number: 670-357-0
Nikkaji: J2.439.022E

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: 13
형식 전하: 0
복잡도: 177

물리화학적 성질

녹는점: 144 · 144-148°C
끓는 점: 400.3 · 400.3±37.0 °C(Predicted)
밀도: 1.28 · 1.28±0.1 g/cm3(Predicted)
저장 조건: Keep in dark place,Sealed in dry,Room Temperature
물리적 상태: powder to crystal
산도 계수 (pKa): 7.46 · 7.46±0.30(Predicted)
색상: White to Light yellow to Light orange
InChI: InChI=1S/C9H8BNO2/c12-10(13)8-4-1-5-9-7(8)3-2-6-11-9/h1-6,12-13H
InChIKey: NWIJBOCPTGHGIK-UHFFFAOYSA-N
SMILES: B(C1=CC=CC2N=CC=CC1=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 46 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

안전 데이터

HS 번호: 29334900
risk_code: 36/37/38-36/38
hazard_code: Xi
safety_code: 26-36-37/39-37
위험 등급: IRRITANT

화학 및 산업

응용 분야 · 1건

용도Quinoline-5-boronic acid is a fluorescent reporter compound that exhibits significant fluorescence property changes via a pKa-switching mechanism upon binding diols and carbohydrates in aqueous solutions at physiological pH[2]. Quinoline-5-boronic acid is used for monitoring sugars across a wide pH range, differentiating D-fructose from inulin, and functioning as a fluorescent probe for diols[2][3]. Quinoline-5-boronic acid is applied in fluorometric determination methods by combining with a phosphate buffer at neutral pH for selective D-fructose detection[3].