5-(3-ニトロフェニル)フルフラール

5-(3-Nitrophenyl)furfural

HCID 612417

ノート反応

部分構造検索類似構造を探す

基本情報

CAS: 13148-43-1
標準SMILES: O=Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1
InChIKey: DXUACWQWQDJZMY-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-(3-Nitrophenyl)furfural
IUPAC: 5-(3-nitrophenyl)furan-2-carbaldehyde
現地名: 5-(3-ニトロフェニル)フルフラール
英語名: 5-(3-NITROPHENYL)-2-FURALDEHYDE
分子式: C11H7NO4
分子量: 217.18

名称と別名

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)-

名称をさらに表示

5-(3-ニトロフェニル)フルフラール5-(3-ニトロフェニル)-2-フルアルデヒド5-(3-ニトロフェニル)フラン-2-カルバルデヒドAKOS B019744AKOS BAR-1989ART-CHEM-BB B0197445-(3-Nitrophenyl)furfural,98%5-(3-NITROPHENYL)FURFURAL 97%

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

データベース識別子

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

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

実験および物理化学的性質

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

物理化学的性質

融点: 156 · 156-158 °C(lit.)
CAS データベース: 13148 · 13148-43-1(CAS DataBase Reference)

化学的性質

化学的特性Yellow powder

安全と法規制

GHS分類

GHS Classification · 5 件

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.

危険有害性情報

Hazard Classes and CategoriesSkin Irrit. 2 (100%)；Eye Irrit. 2 (100%)；STOT SE 3 (100%)

安全データ

wgk: 3
hs_code: 29321900
risk_code: 36/37/38
hazard_code: Xi
safety_code: 26-36
hazard_class: IRRITANT

化学と産業

応用分野

用途有機合成原料。

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化合物ノート

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