5-(4-클로로페닐)-2-푸랄데히드

5-(4-Chlorophenyl)-2-furaldehyde

HCID 676184CAS 34035-03-5

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: O=Cc1ccc(-c2ccc(Cl)cc2)o1
InChIKey: ROJGJNINTRCMBL-UHFFFAOYSA-N
분자식: C11H7ClO2
평균 분자량: 206.62 g/mol
단동위원소 질량: 206.01345714

이름 및 식별자

우선 이름: 5-(4-Chlorophenyl)-2-furaldehyde
IUPAC: 5-(4-chlorophenyl)furan-2-carbaldehyde
현지명: 5-(4-클로로페닐)-2-푸랄데히드
영어명: 5-(4-Chlorophenyl)-2-furaldehyde
분자식: C11H7ClO2
분자량: 206.63

이름 및 동의어

34035-03-55-(4-chlorophenyl)-2-furaldehydeDTXSID00350254RefChem:530275DTXCID60301323623-617-25-(4-chlorophenyl)furan-2-carbaldehyde5-(4-Chlorophenyl)furfuralMFCD001959475-(4-Chloro-phenyl)-furan-2-carbaldehyde5-(4-Chlorophenyl)-2-furancarboxaldehyde2-Furancarboxaldehyde, 5-(4-chlorophenyl)-

이름 더 보기

5-(4-클로로페닐)-2-푸랄데히드AKOS B004122AKOS BAR-0548AURORA KA-4235ASISCHEM N16482ZERENEX E/4047331TIMTEC-BB SBB003482ART-CHEM-BB B0041225-(4-CHLOROPHENYL)-2-FURALDEHYD5-(4-Chlorophenyl)furfural, 95+%

2-FORMYL-5-(4-CHLOROPHENYL)FURAN5-(4-Chlorophenyl)furan-2-carboxaldehydeCambridge id 7179578CHEMBL375867SCHEMBL1143469SCHEMBL2322085ROJGJNINTRCMBL-UHFFFAOYSA-N5-(p-chlorophenyl)-2-furaldehyde

데이터베이스 식별자

CAS: 34035-03-5
PubChem CID: 676184
DTXSID: DTXSID00350254
ChEMBL: CHEMBL375867
EC Number: 623-617-2
Nikkaji: J892.674C

물성

구조 계산 물성

XLogP: 3.1
극성 표면적: 30.2 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 2
회전 가능 결합 수: 2
무거운 원자 수: 14
형식 전하: 0
복잡도: 199

실험 및 물리화학적 성질

SpringerMaterials PropertiesChemical structure

물리화학적 성질

녹는점: 128 · 128-131 °C (lit.)
끓는 점: 350.7 · 350.7±32.0 °C(Predicted)
밀도: 1.282 · 1.282±0.06 g/cm3(Predicted)
저장 조건: 2 · under inert gas (nitrogen or Argon) at 2-8°C
물리적 상태: 바늘같은 물질
색상: 옅은 갈색
InChI: 1S/C11H7ClO2/c12-9-3-1-8(2-4-9)11-6-5-10(7-13)14-11/h1-7H
InChIKey: ROJGJNINTRCMBL-UHFFFAOYSA-N
SMILES: Clc1ccc(cc1)-c2ccc(C=O)o2

화학적 성질

Pale brown needles

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 42 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

wgk: 3
HS 번호: 29321900
risk_code: 36/37/38
hazard_code: Xi
safety_code: 26-36-37/39
위험 등급: IRRITANT
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3
스토리지 클래스: 11 - Combustible Solids

화학 및 산업

응용 분야 · 2건

용도5-(4-Chlorophenyl)furfural is a metabolite of Azimilide (A926950, 2 HCl); an oral type III potassium channel blocker agent that blocks both the rapid activating component and the slow activating component of the delayed rectifier potassium current. Both preclinical and clinical studies have demonstrated the efficacy of Azimilide and its safety in the treatment of supraventricular and ventricular tachyarrhythmia. Azimilide is also being studied in a worldwide multicenter trial for prevention of sudden cardiac death in patients after myocardial infarction.

일반 설명5-(4-Chlorophenyl)furfural is a furfural derivative.