CAS 1775-95-7 2-Amino-5-nitrobenzophenone (HCID 15681)

名称と識別子

優先名称: 2-Amino-5-nitrobenzophenone
IUPAC: (2-amino-5-nitrophenyl)-phenylmethanone
現地名: 2-アミノ-5-ニトロベンゾフェノン
英語名: 2-Amino-5-nitrobenzophenone
分子式: C13H10N2O3
分子量: 242.23

名称と別名

2-Amino-5-nitrobenzophenone1775-95-7METHANONE, (2-AMINO-5-NITROPHENYL)PHENYL-(2-Amino-5-nitrophenyl)phenylmethanoneG2X8PCQ4GYDTXSID40170317RefChem:464652DTXCID7092808217-207-9(2-amino-5-nitrophenyl)(phenyl)methanone2-benzoyl-4-nitroaniline(2-amino-5-nitrophenyl)-phenylmethanone

名称をさらに表示

2-アミノ-5-ニトロベンゾフェノン2'-アミノ-5'-ニトロベンゾフェノン2-アミノ-5-ニトロベンゾフェノン, 98%2′-アミノ-5′-ニトロベンゾフェノン2-ベンゾイル-4-ニトロアニリンRo 7-1999Ro 7-19990TIMTEC-BB SBB000821IFLAB-BB F0266-0701Nitrazepam Impurity 2Nitrazepam Impurity BCiclopirox Impurity 6LABOTEST-BB LT00000253

5-AMINO-2-NITROBENZOPHENONE5-Nitro-2-aminobenzophenoneMFCD00007364Benzophenone, 2-amino-5-nitro-2-amino-5-nitrophenyl phenyl ketoneEINECS 217-207-9Nitrazepam EP Impurity BBRN 0748830

データベース識別子

CAS: 1775-95-7
PubChem CID: 15681
DTXSID: DTXSID40170317
UNII: G2X8PCQ4GY
EC Number: 217-207-9
Nikkaji: J80.313H

物性

構造計算による物性

XLogP: 3
極性表面積: 88.9 Å²
水素結合供与体数: 1
水素結合受容体数: 4
回転可能結合数: 2
重原子数: 18
形式電荷: 0
複雑度: 321

実験および物理化学的性質

Kovats Retention Index · 2 件

2365；2390；2380；2388；2388

2365

物理化学的性質

融点: 166 · 166-168 °C (lit.)
沸点: 385.05 °C · 385.05°C (rough estimate)
比重(密度): 1.248 · 1.2480 (rough estimate)
屈折率: 1.53 · 1.5300 (estimate)
貯蔵温度: Keep in dark place,Inert atmosphere,Room temperature
溶解性: クロロホルム（微量）、DMSO（微量）、メタノール（微量、加温）
外見: 個体
酸解離定数(Pka): -2.26 · -2.26±0.36(Predicted)
色: ベージュ
水溶解度: 3 mg/L · 3mg/L（20℃）
InChI: InChI=1S/C13H10N2O3/c14-12-7-6-10(15(17)18)8-11(12)13(16)9-4-2-1-3-5-9/h1-8H,14H2
InChIKey: PZPZDEIASIKHPY-UHFFFAOYSA-N
SMILES: C(C1=CC([N+]([O-])=O)=CC=C1N)(C1=CC=CC=C1)=O
CAS データベース: 1775 · 1775-95-7(CAS DataBase Reference)
NISTの化学物質情報: Methanone, (2-amino-5-nitrophenyl)phenyl-(1775-95-7)

化学的性質

化学的特性Yellow Solid

安全と法規制

GHS分類

GHS Classification · 5 件

Warning

H315 (97.9%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (97.9%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (95.8%): 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 48 reports by companies from 8 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

Regulatory Information · 2 件

Status: Active Update: 16-03-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/23260

Methanone, (2-amino-5-nitrophenyl)phenyl-: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.

Hazard Classes and CategoriesSkin Irrit. 2 (97.9%)；Eye Irrit. 2 (97.9%)；STOT SE 3 (95.8%)

法規制情報

Regulatory Information · 2 件

Status: Active Update: 16-03-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/23260

Methanone, (2-amino-5-nitrophenyl)phenyl-: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.

安全データ

wgk: 3
rtecs: PC4935000
hs_code: 29223990
risk_code: 36/37/38-20/21/22
hazard_code: Xi,Xn
safety_code: 26-37/39-36
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 · 3 件

用途有機合成原料。

使用2-Amino-5-nitrobenzophenone was used in the synthesis of [5-(4-nitrophenyl)-2-furyl]acrylic acid substituted benzophenone (anti-malarial agent).

一般的な説明FT-IR and Raman spectra of 2-amino-5-nitrobenzophenone (ANBP) has been reported.

上流・下流製品情報

上流原料

N-メチル-4-ニトロアニリン塩化亜鉛 4-クロロ安息香酸ベンゾフェノンジフェニルアミンベンゾイルクロリド Acetamide, N-(2-benzoyl-4-nitrophenyl)-Acetamide, 2-amino-N-(2-benzoyl-4-nitrophenyl)-Methanone, (2-iodo-5-nitrophenyl)phenyl-2-アミノ-5-ニトロベンゾニトリル 4'-ニトロベンズアニリド 2-クロロ-5-ニトロベンゾフェノン

下流製品

N-(2-ベンゾイル-4-ニトロフェニル)-2-クロロアセトアミドニトラゼパム 4-アミノ-3-ニトロベンゾフェノン 3-Acetyl-6-nitro-4-phenylquinolin-2(1H)-one

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化合物ノート

読み込み中…

2-アミノ-5-ニトロベンゾフェノン

基本情報