N,N-Dimethylbenzamide (HCID 11916)

名称と識別子

優先名称: N,N-Dimethylbenzamide
IUPAC: N,N-dimethylbenzamide
現地名: N,N-ジメチルベンズアミド
英語名: N,N-Dimethylbenzamide
分子式: C9H11NO
分子量: 149.19

名称と別名

N,N-DIMETHYLBENZAMIDE611-74-5DimethylbenzamideBenzamide, N,N-dimethyl-MX2VX9MH4TAI3-01462NSC-10996DTXSID4060602RefChem:822586DTXCID9042966210-279-2NN-Dimethylbenzamide

名称をさらに表示

N,N-ジメチルベンズアミドN,N‐ジメチルベンズアミドNN-ジメチルベンズアミド1N1&VRN,N-Dimethylbenzamin,n-dimethyl-benzamidN,N-Dimethyl BenzmideLABOTEST-BB LT00793055BenzaMide,N,N-diMethyl-N,N-Dimethylbenzamide98%

MFCD00008320EINECS 210-279-2NSC 10996Dimethylbenzmiden-dimethylbenzamideDMBZN,N-dimetyl-benzamideN,N-Dimethyl benzamide

データベース識別子

CAS: 611-74-5
PubChem CID: 11916
DTXSID: DTXSID4060602
ChEMBL: CHEMBL453210
UNII: MX2VX9MH4T
EC Number: 210-279-2
Nikkaji: J47.670F

物性

構造計算による物性

XLogP: 0.6
極性表面積: 20.3 Å²
水素結合供与体数: 0
水素結合受容体数: 1
回転可能結合数: 1
重原子数: 11
形式電荷: 0
複雑度: 136

実験および物理化学的性質

Chemical ClassesNitrogen Compounds -> Other Aromatics (Nitrogen)

SpringerMaterials Properties13C nuclear magnetic resonance spectrum

LogP1.2

Vapor Pressure0.00887 [mmHg]

Physical DescriptionWhite crystalline solid; [Alfa Aesar MSDS]

物理化学的性質

融点: 43 · 43-45 °C (lit.)
沸点: 132 · 132-133 °C/15 mmHg (lit.)
比重(密度): 1.0753 · 1.0753 (rough estimate)
屈折率: 1.5279 · 1.5279 (estimate)
闪点: 230 °F · >230 °F
貯蔵温度: 2 · 2-8°C(protect from light)
外見: powder to lump to clear liquid
酸解離定数(Pka): -1.14 · -1.14±0.70(Predicted)
色: White or Colorless to Light yellow
水溶解度: 水に溶ける。
BRN: 774955 · 774955
InChI: 1S/C9H11NO/c1-10(2)9(11)8-6-4-3-5-7-8/h3-7H,1-2H3
InChIKey: IMNDHOCGZLYMRO-UHFFFAOYSA-N
SMILES: CN(C)C(=O)c1ccccc1
CAS データベース: 611 · 611-74-5(CAS DataBase Reference)
NISTの化学物質情報: Benzamide, N,N-dimethyl-(611-74-5)
EPAの化学物質情報: Benzamide, N,N-dimethyl- (611-74-5)

化学的性質

化学的特性white to slightly yellow cryst. low melting solid

安全と法規制

GHS分類

GHS Classification · 4 件

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 49 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

危険有害性情報

Regulatory InformationStatus: Active Update: 11-12-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/24052

Hazards SummaryA skin and strong eye irritant; Toxic by ingestion; [Alfa Aesar MSDS] See Benzamide.

Hazard Classes and CategoriesAcute Tox. 4 (100%)

安全データ

wgk: 3
tsca: TSCA listed
rtecs: CV4500000
hs_code: 29242990
risk_code: 22-36/37/38
hazard_code: Xn,Xi
safety_code: 26-36-37/39
Hazard Classifications: Acute Tox. 4 OralEye Irrit. 2Skin Irrit. 2STOT SE 3
ストレージクラス: 11 - Combustible Solids

化学と産業

用途と製造

General Manufacturing InformationBenzamide, N,N-dimethyl-: ACTIVE

応用分野 · 2 件

使用Reagent for deoxygenation of secondary alcohols.

一般的な説明N,N-Dimethylbenzamide is a hydrotropic agent and its ability to solubilize drugs with low aqueous solubility has been investigated. It reacts with PhLnI complexes (Ln-Eu, Sm, Yb) to yield benzophenone in good yields. Deuterium exchange labelling experimets on N,N-dimethylbenzamide using [IrH2(Me2CO)2(PPh3)2]BF4 as catalyst and deuterium gas as the source of isotope has been conducted.

上流・下流製品情報

上流原料

N,N-ジメチルホルムアミドベンゾイルクロリド N,N-ジメチルベンゾチオアミド Benzenecarboximidic acid, N-methyl- (9CI)2-フェノキシアセトフェノンベンズアルデヒドジメチルアミンフェノール安息香酸

下流製品

Hydroquinine (anthraquinone-1 4-diyl)ヒドロキニン2,5-ジフェニル-4,6-ピリミジンジイルジエーテル 2,5-ジフェニル-4,6-ビス[[(9S)-6′-メトキシ-10,11-ジヒドロシンコナン-9-イル]オキシ]ピリミジン N,N-diMethyl-2-oxo-2-phenylacetaMide 2-フェニル-2-ペンタノールグアイアコール

サプライヤー50 社

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上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]

N,N-ジメチルベンズアミド

基本情報