4-ニトロベンゾフェノン

Methanone, (4-nitrophenyl)phenyl-

HCID 70839CAS 1144-74-7

部分構造検索類似構造を探す

基本情報

標準SMILES: O=C(c1ccccc1)c1ccc([N+](=O)[O-])cc1
InChIKey: ZYMCBJWUWHHVRX-UHFFFAOYSA-N
分子式: C13H9NO3
平均分子量: 227.21 g/mol
単同位体質量: 227.05824315

名称と識別子

優先名称: Methanone, (4-nitrophenyl)phenyl-
IUPAC: (4-nitrophenyl)-phenylmethanone
現地名: 4-ニトロベンゾフェノン
英語名: 4-Nitrobenzophenone
分子式: C13H9NO3
分子量: 227.22

名称と別名

4-Nitrobenzophenone1144-74-7p-NitrobenzophenoneMethanone, (4-nitrophenyl)phenyl-4-Nitrophenyl phenyl ketoneBenzophenone, 4-nitro-EINECS 214-542-2NSC 406623DTXSID7061564pNitrobenzophenoneBenzophenone, 4nitroRefChem:811669

名称をさらに表示

4-ニトロベンゾフェノン4'-ニトロベンゾフェノン(4-ニトロフェニル)フェニルケトン(4-ニトロフェニル)フェニルメタノンフェニル(p-ニトロフェニル)ケトンp-ニトロベンゾフェノンAKOS BBS-000046104-Nitrobenzophenone>4-Nitrobenzophenone 99%4-Nitrobenzophenone, 98%+4-Nitrobenzophenone, 99+%p-Nitrophenyl phenyl ketone

4Nitrophenyl phenyl ketoneMethanone, (4nitrophenyl)phenylDTXCID9033347214-542-2(4-Nitrophenyl)(phenyl)methanone(4-nitrophenyl)-phenylmethanoneMFCD00007354(4-Nitrophenyl)(phenyl)methanone #

データベース識別子

CAS: 1144-74-7
PubChem CID: 70839
DTXSID: DTXSID7061564
EC Number: 214-542-2
Nikkaji: J96.223F

物性

構造計算による物性

XLogP: 3.3
極性表面積: 62.9 Å²
水素結合供与体数: 0
水素結合受容体数: 3
回転可能結合数: 2
重原子数: 17
形式電荷: 0
複雑度: 284

実験および物理化学的性質

Chemical ClassesNitrogen Compounds -> Other Aromatics (Nitrogen)

SpringerMaterials Properties13C nuclear magnetic resonance spectrum

Physical DescriptionLight yellow powder; [Sigma-Aldrich MSDS]

物理化学的性質

融点: 136 · 136-138 °C (lit.)
沸点: 368.92 °C · 368.92°C (rough estimate)
比重(密度): 1.406 · 1.4060
屈折率: 1.588 · 1.5880 (estimate)
貯蔵温度: 30 °C · Store below +30°C.
外見: powder to crystal
色: White to Light yellow to Green
BRN: 1912753 · 1912753
InChI: InChI=1S/C13H9NO3/c15-13(10-4-2-1-3-5-10)11-6-8-12(9-7-11)14(16)17/h1-9H
InChIKey: ZYMCBJWUWHHVRX-UHFFFAOYSA-N
SMILES: C(C1=CC=C([N+]([O-])=O)C=C1)(C1=CC=CC=C1)=O
CAS データベース: 1144 · 1144-74-7(CAS DataBase Reference)
NISTの化学物質情報: Methanone, (4-nitrophenyl)phenyl-(1144-74-7)
EPAの化学物質情報: Methanone, (4-nitrophenyl)phenyl- (1144-74-7)

化学的性質

化学的特性yellow to light brown fine 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 43 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.