ベンズアニリド

Benzanilide

HCID 7168CAS 93-98-1
部分構造検索類似構造を探す

基本情報

標準SMILES
O=C(Nc1ccccc1)c1ccccc1
InChIKey
ZVSKZLHKADLHSD-UHFFFAOYSA-N
分子式
C13H11NO
平均分子量
197.23 g/mol
単同位体質量
197.08406397

名称と識別子

優先名称
Benzanilide
IUPAC
N-phenylbenzamide
現地名
ベンズアニリド
英語名
BENZANILIDE
分子式
C13H11NO
分子量
197.23

名称と別名

BENZANILIDE93-98-1N-BenzoylanilineBenzamide, N-phenyl-Benzoic acid anilideNSC-3131AK1B12366ORefChem:561614202-292-7N-PhenylbenzamideN-Phenyl-benzamiden-benzoyl aniline
名称をさらに表示
N-フェニルベンズアミドベンツアニリドベンズアニリド.ベンズアニリドN-ベンゾイルアニリンN-(フェニル)ベンズアミドN-フェニルベンゼンカルボアミドベンゾイルアニリンN-(α-ヒドロキシベンジリデン)アニリンα-(フェニルイミノ)ベンジルアルコールBenzanilidBenzoylanilideENZANILIDEBENZANIIIDEBenzanilide >Benzanilide CRSBENZANILIDE 99+%
MFCD00003069NSC 3131SCHEMBL31966AI3-01046DTXSID9059096NSC3131phenyl-N-benzamideSTK036609

データベース識別子

CAS
93-98-1
PubChem CID
7168
DTXSID
DTXSID9059096
ChEMBL
CHEMBL115523
UNII
AK1B12366O
EC Number
202-292-7
Nikkaji
J95.755K

物性

構造計算による物性

XLogP
2.6
極性表面積
29.1 Ų
水素結合供与体数
1
水素結合受容体数
1
回転可能結合数
2
重原子数
15

実験および物理化学的性質

Chemical ClassesNitrogen Compounds -> Other Aromatics (Nitrogen)
SpringerMaterials Properties15N nuclear magnetic resonance spectrum
LogP2.62
Vapor Pressure0.00000201 [mmHg]
Physical DescriptionWhite to reddish solid; [Hawley] Faintly beige powder; [MSDSonline]
Ionization Efficiency · 6 件

Positive

2.76

2.7

Agilent XCT

Electrospray ionization

formic acid (5.3nM)

物理化学的性質

融点
161 · 161-163 °C(lit.)
沸点
117 °C10 · 117 °C10 mm Hg(lit.)
比重(密度)
1 · 1,315 g/cm3
屈折率
1.605 · 1.6050 (estimate)
闪点
117 °C/10mm · 117°C/10mm
貯蔵温度
30 °C · Store below +30°C.

化学的性質

化学的特性greyish to yellow-green powder

安全と法規制

GHS分類

GHS Classification · 5 件

This chemical does not meet GHS hazard criteria for 50% (1 of 2) of reports.

Warning

H315 (50%): 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 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

危険有害性情報

Regulatory Information · 2 件

Chemical: Benzamide, N-phenyl-

Benzamide, N-phenyl-: Does not have an individual approval but may be used under an appropriate group standard

Hazards SummaryMay cause irritation; [MSDSonline]
Hazard Classes and CategoriesSkin Irrit. 2 (50%)

安全データ

wgk
3
tsca
TSCA listed
hs_code
29242990
risk_code
20/21/22-36/37/38
hazard_code
Xn
safety_code
22-24/25-36-26

化学と産業

用途と製造

UsesUsed to make dyes, drugs, and perfumes; [Hawley]
General Manufacturing InformationBenzamide, N-phenyl-: ACTIVE
応用分野 · 4 件

解説ベンズアニリド，昇華性の無色の葉状晶(エタノールより再結晶)．融点163 ℃，沸点117～119 ℃(1.3 kPa)．d20 1.315．エタノールに可溶，エーテルに難溶，水に不溶．重クロム酸カリウムと濃硫酸とで紫色を呈する．染料および香料などの原料に用いられる．

用途有機合成原料。

使用Benzanilide is used to make dyes, active pharmaceutical ingredients and perfumes. It is also used to study the influence of beta-cyclodextrin on photorearrangement of acetanilide, benzanilide and ethyl phenyl carbonate. Further, it is used as an amide model compound to study the reaction between the amide and epoxy. In addition to this, it reacts with aryltriflates in the presence of palladium-based catalyst system to get N-(2,6-diarylbenzoyl)anilines.

一般的な説明Benzanilide undergoes diarylation with aryl triflates or bromides in the presence of a palladium-based catalyst system to form corresponding N-(2,6-diarylbenzoyl)anilines. It is used in manufacture of dyes and perfumes.

調製方法

純化方法Crystallise benzanilide from pet ether (b 70-90o) using a Soxhlet extractor, and dry it overnight at 120o. Also crystallise it from EtOH. [Beilstein 12 IV 417.]

上流・下流製品情報

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国药集团化学试剂有限公司86-21-63210123 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
成都彼样生物科技有限公司18108052721 · [email protected]
河南赢创生物科技有限公司16650615803 · [email protected]

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