5-(2-Nitrophenyl)-2-furaldehyde

HCID 673649CAS 20000-96-8

基本情報

標準SMILES: O=Cc1ccc(-c2ccccc2[N+](=O)[O-])o1
InChIKey: QBYRUURYXPVDAK-UHFFFAOYSA-N
分子式: C11H7NO4
平均分子量: 217.18 g/mol
単同位体質量: 217.0375077

名称と識別子

優先名称: 5-(2-Nitrophenyl)-2-furaldehyde
IUPAC: 5-(2-nitrophenyl)furan-2-carbaldehyde
英語名: 5-(2-NITROPHENYL)-2-FURALDEHYDE
分子式: C11H7NO4
分子量: 217.18

名称と別名

20000-96-85-(2-nitrophenyl)furan-2-carbaldehyde5-(2-Nitrophenyl)-2-furaldehyde2-Furancarboxaldehyde, 5-(2-nitrophenyl)-5-(2-Nitrophenyl)furfuralMFCD002165865-(2-Nitro-phenyl)-furan-2-carbaldehydeCambridge id 7184607SCHEMBL2322196SCHEMBL2322204DTXSID70350089QBYRUURYXPVDAK-UHFFFAOYSA-N

名称をさらに表示

AKOS B022242AKOS BB-8348ASISCHEM N32003ART-CHEM-BB B022242TIMTEC-BB SBB0005645-(2-Nitrophenyl)furfural,99%5-(2-NITROPHENYL)-2-FURANCARBOXALDEHYDE

5-(2-Nitrophenyl)furfural, 99%ALBB-021014BBL008406SBB000564STK010136AKOS000108242AKOS015916430SB60996

データベース識別子

CAS: 20000-96-8
PubChem CID: 673649
DTXSID: DTXSID70350089
EC Number: 624-559-0
Nikkaji: J1.371.651J

物性

構造計算による物性

XLogP: 2.3
極性表面積: 76 Å²
水素結合供与体数: 0
水素結合受容体数: 4
回転可能結合数: 2
重原子数: 16
形式電荷: 0
複雑度: 276

物理化学的性質

融点: 94 · 94-97 °C(lit.)
沸点: 105 · 105-107 °C30 mm Hg(lit.)
比重(密度): 1.3654 · 1.3654 (rough estimate)
屈折率: 1.49 · 1.4900 (estimate)
外見: solid
InChI: 1S/C11H7NO4/c13-7-8-5-6-11(16-8)9-3-1-2-4-10(9)12(14)15/h1-7H
InChIKey: QBYRUURYXPVDAK-UHFFFAOYSA-N
SMILES: [H]C(=O)c1ccc(o1)-c2ccccc2[N+]([O-])=O
CAS データベース: 20000 · 20000-96-8(CAS DataBase Reference)

化学的性質

化学的特性Orange-brown crystalline powder

安全と法規制

GHS分類

GHS Classification · 4 件

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 41 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

危険有害性情報

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

安全データ

wgk: 3
hs_code: 29321900
risk_code: 36/37/38
hazard_code: Xi
safety_code: 26-36
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3
ストレージクラス: 11 - Combustible Solids

化学と産業

応用分野 · 2 件

使用5-(2-Nitrophenyl)furfural (5-(2-nitrophenyl)-2-furfuraldehyde) was used in the synthesis of (5-(2-nitrophenyl)furfuran-2-yl)methanol.It may be used in the synthesis of 2-{[5-(2-nitrophenyl)furan-2-yl]methyleneamino}benzoic acid (HOBZ) by reacting with 2-aminobenzoic acid.

一般的な説明5-(2-Nitrophenyl)furfural is a furfural derivative.

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