5-(3-니트로페닐)-2-퓨랄데하이드

5-(3-Nitrophenyl)furfural

HCID 612417CAS 13148-43-1

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: O=Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1
InChIKey: DXUACWQWQDJZMY-UHFFFAOYSA-N
분자식: C11H7NO4
평균 분자량: 217.18 g/mol
단동위원소 질량: 217.0375077

이름 및 식별자

우선 이름: 5-(3-Nitrophenyl)furfural
IUPAC: 5-(3-nitrophenyl)furan-2-carbaldehyde
현지명: 5-(3-니트로페닐)-2-퓨랄데하이드
영어명: 5-(3-NITROPHENYL)-2-FURALDEHYDE
분자식: C11H7NO4
분자량: 217.18

이름 및 동의어

5-(3-Nitrophenyl)furfuralRefChem:530014620-836-55-(3-nitrophenyl)furan-2-carbaldehyde13148-43-15-(3-Nitrophenyl)-2-furaldehyde2-Furancarboxaldehyde, 5-(3-nitrophenyl)-MFCD000461065-(3-Nitrophenyl)-2-furancarboxaldehyde5-(3-Nitro-phenyl)-furan-2-carbaldehyde2-formyl-5-(3-nitrophenyl)furan2-Furancarboxaldehyde,5-(3-nitrophenyl)-

이름 더 보기

5-(3-니트로페닐)-2-퓨랄데하이드AKOS B019744AKOS BAR-1989ART-CHEM-BB B0197445-(3-Nitrophenyl)furfural,98%5-(3-NITROPHENYL)FURFURAL 97%

5-(m-Nitrophenyl)furfuralASISCHEM N16486AURORA KA-4222MLS000332569SCHEMBL1960867SCHEMBL2323398CHEMBL1414099TIMTEC-BB SBB000566

데이터베이스 식별자

CAS: 13148-43-1
PubChem CID: 612417
DTXSID: DTXSID30346468
ChEMBL: CHEMBL1414099
EC Number: 620-836-5
Nikkaji: J1.617.584F

물성

구조 계산 물성

XLogP: 2.3
극성 표면적: 76 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 4
회전 가능 결합 수: 2
무거운 원자 수: 16
형식 전하: 0
복잡도: 276

실험 및 물리화학적 성질

Solubility6.3 [ug/mL] (The mean of the results at pH 7.4)

물리화학적 성질

녹는점: 156 · 156-158 °C(lit.)

화학적 성질

Yellow powder

안전 및 규제

GHS 분류

GHS Classification · 5건

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract 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 40 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.