5-(4-Nitrophenyl)-2-furaldehyde

HCID 81567CAS 7147-77-5

기본 정보

표준 SMILES: O=Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1
InChIKey: RTSOJVJDKNKNFU-UHFFFAOYSA-N
분자식: C11H7NO4
평균 분자량: 217.18 g/mol
단동위원소 질량: 217.0375077

이름 및 식별자

우선 이름: 5-(4-Nitrophenyl)-2-furaldehyde
IUPAC: 5-(4-nitrophenyl)furan-2-carbaldehyde
영어명: 5-(4-Nitrophenyl)-2-furaldehyde
분자식: C11H7NO4
분자량: 217.18

이름 및 동의어

7147-77-55-(4-Nitrophenyl)-2-furaldehyde5-(4-Nitrophenyl)furfural5-(4-Nitrophenyl)-2-furancarboxaldehyde2-Furancarboxaldehyde, 5-(4-nitrophenyl)-5-(p-Nitrophenyl)furfuralEINECS 230-459-4NSC-31431DO5AR91I76UNII-DO5AR91I765-(4-Nitrophenyl)furfuraldehyde5-(p-Nitrophenyl)-2-furaldehyde

이름 더 보기

AKOS BB-8346AKOS B019718TOSLAB 719457AURORA KA-4231ASISCHEM N164815-(4-Nitrophenyl)-TIMTEC-BB SBB000565ART-CHEM-BB B019718Dantrolene USP RC C

DTXSID702216842-Furaldehyde, 5-(p-nitrophenyl)-NSC 314315-(p-Nitrophenyl)-2-furancarboxaldehydeRefChem:101713DTXCID00144175230-459-4RTSOJVJDKNKNFU-UHFFFAOYSA-N

데이터베이스 식별자

CAS: 7147-77-5
PubChem CID: 81567
DTXSID: DTXSID70221684
UNII: DO5AR91I76
EC Number: 230-459-4
Nikkaji: J227.397G

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: 268

물리화학적 성질

녹는점: 204 · 204-206 °C(lit.)
끓는 점: 406.8 · 406.8±35.0 °C(Predicted)
밀도: 1.348 · 1.348±0.06 g/cm3(Predicted)
저장 조건: Keep in dark place,Sealed in dry,Room Temperature
용해도: DMSO(소량으로 용해, 난방), 에틸아세테이트(소량으로 용해, 난방)
물리적 상태: 고체
색상: 노란색에서 진한 노란색까지
주요 응용: 의약품(소분자)
InChI: InChI=1S/C11H7NO4/c13-7-10-5-6-11(16-10)8-1-3-9(4-2-8)12(14)15/h1-7H
InChIKey: RTSOJVJDKNKNFU-UHFFFAOYSA-N
SMILES: O1C(C2=CC=C([N+]([O-])=O)C=C2)=CC=C1C=O

화학적 성질

brown crystalline powder

안전 및 규제

GHS 분류

GHS Classification · 5건

Warning

H302 (97.6%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (97.6%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, 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.；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.