5-Chloro-2-furaldehyde

HCID 2769630CAS 21508-19-0

기본 정보

표준 SMILES: O=Cc1ccc(Cl)o1
InChIKey: DGAUAVDWXYXXGQ-UHFFFAOYSA-N
분자식: C5H3ClO2
평균 분자량: 130.53 g/mol
단동위원소 질량: 129.98215702

이름 및 식별자

우선 이름: 5-Chloro-2-furaldehyde
IUPAC: 5-chlorofuran-2-carbaldehyde
영어명: 5-Chloro-2-furaldehyde
분자식: C5H3ClO2
분자량: 130.53

이름 및 동의어

5-Chloro-2-furaldehydeRefChem:534536627-276-05-chlorofuran-2-carbaldehyde21508-19-0MFCD027525992-Furancarboxaldehyde, 5-chloro-5-chlorofurfuralC5H3ClO25-chloro-furfural2-Chlorofuran-5-aldehyde5-chlorofuran-2 carbaldehyde

이름 더 보기

EOS-61611TIMTEC-BB SBB0042235-CHLORO-2-FURALDEHYDE,97%5-Chloro-2-furaldehyde 98%5-chlorofuran-2-carbaldeyde5-CHLORO-2-FURALDEHYDE, 98+%5-Chloro-2-furancarboxaldehyde

5-Chloro-furan-2carbaldehydeSCHEMBL5111685-Chloro-furan-2-carbaldehyde5-chlorofuran-2-carboxaldehydeSCHEMBL31858805-Chloro-2-furaldehyde, 98%DTXSID00944117WAA50819

데이터베이스 식별자

CAS: 21508-19-0
PubChem CID: 2769630
DTXSID: DTXSID00944117
EC Number: 627-276-0
Nikkaji: J659.144B

물성

구조 계산 물성

XLogP: 1.7
극성 표면적: 30.2 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 2
회전 가능 결합 수: 1
무거운 원자 수: 8
형식 전하: 0
복잡도: 94.4

물리화학적 성질

녹는점: 34 · 34-37 °C (lit.)
끓는 점: 70 °C · 70°C 10mm
밀도: 1.361 · 1.361±0.06 g/cm3(Predicted)
인화점: 190 °F · 190 °F
저장 조건: 2 · 2-8°C
용해도: 아세톤(약간 용해됨), 메탄올(약간 용해됨)
물리적 상태: 결정성 분말
색상: 흰색에서 황백색까지
수용성: 물에 불용성.
BRN: 108401 · 108401
InChI: 1S/C5H3ClO2/c6-5-2-1-4(3-7)8-5/h1-3H
InChIKey: DGAUAVDWXYXXGQ-UHFFFAOYSA-N
SMILES: Clc1ccc(C=O)o1

화학적 성질

White to yellow powder

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 44 reports by companies from 4 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
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3
스토리지 클래스: 11 - Combustible Solids

화학 및 산업

응용 분야 · 2건

용도5-Chloro-2-furaldehyde may be used as an internal standard during the analysis of furanic compounds by reversed-phase-high performance liquid chromatography–diode array detection (RP-HPLC–DAD) method.

일반 설명5-Chloro-2-furaldehyde is also known as 5-chlorofurfural. It reacts with aniline and aniline hydrochloride to form bis-(phenylamino) derivatives, without the furan ring cleavage. It also undergoes coupling with ethyl acetoacetate to form the corresponding ethyl bis-acetoacetate.