N-(2,6-ジメチルフェニル)アセトアミド

N-Acetyl-2,6-xylidine

HCID 16616CAS 2198-53-0

部分構造検索類似構造を探す

基本情報

標準SMILES: CC(=O)Nc1c(C)cccc1C
InChIKey: NRPTXWYBRKRZES-UHFFFAOYSA-N
分子式: C10H13NO
平均分子量: 163.22 g/mol
単同位体質量: 163.09971404

名称と識別子

優先名称: N-Acetyl-2,6-xylidine
IUPAC: N-(2,6-dimethylphenyl)acetamide
現地名: N-(2,6-ジメチルフェニル)アセトアミド
英語名: 2',6'-DIMETHYLACETANILIDE
分子式: C10H13NO
分子量: 163.22

名称と別名

N-(2,6-Dimethylphenyl)acetamide2198-53-02',6'-Dimethylacetanilide2,6-DimethylacetanilideAcetamide, N-(2,6-dimethylphenyl)-2',6'-ACETOXYLIDIDEN-Acetyl-2,6-xylidineN-Acetyl-2,6-dimethylanilineNSC 54130Acetanilide, 2',6'-dimethyl-68GZI4J9FMN-Acetoxy-2,6-dimethylaniline

名称をさらに表示

2',6'-ジメチルアセトアニリドN-(2,6-ジメチルフェニル)アセトアミドN-アセチル-2,6-キシリジン2′,6′-ジメチルアセトアニリド2,6-ジメチルアセトアニリドLidocaine EP Impurity C2,6-Acetoxylide2’,6’-AcetoxylididLIDOCAINE EP IMP CTIMTEC-BB SBB008144Lidocaine Impurity 7N-Acetyl-2,6-xylidene

EINECS 218-596-8NSC-54130BRN 2208750DTXSID2062244LIDOCAINE IMPURITY C [EP IMPURITY]LIDOCAINE HYDROCHLORIDE IMPURITY C [EP IMPURITY]LIDOCAINE IMPURITY C (EP IMPURITY)LIDOCAINE HYDROCHLORIDE IMPURITY C (EP IMPURITY)

データベース識別子

CAS: 2198-53-0
PubChem CID: 16616
DTXSID: DTXSID2062244
UNII: 68GZI4J9FM
EC Number: 218-596-8
Nikkaji: J55.070A

物性

構造計算による物性

XLogP: 1.1
極性表面積: 29.1 Å²
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: 1
重原子数: 12
形式電荷: 0
複雑度: 157

実験および物理化学的性質

SpringerMaterials Properties13C nuclear magnetic resonance spectrum

PesticidesEnvironmental transformation -> Pesticide transformation products (metabolite, successor)

物理化学的性質

融点: 182 · 182-184 °C(lit.)
沸点: 290.31 °C · 290.31°C (rough estimate)
比重(密度): 1.052 · 1.052
屈折率: 1.54 · 1.5400 (estimate)
貯蔵温度: 2 · 2-8°C
溶解性: クロロホルム（微量）、メタノール（微量）
外見: 個体
酸解離定数(Pka): 15.14 · 15.14±0.70(Predicted)
色: クリスタル
InChI: 1S/C10H13NO/c1-7-5-4-6-8(2)10(7)11-9(3)12/h4-6H,1-3H3,(H,11,12)
InChIKey: NRPTXWYBRKRZES-UHFFFAOYSA-N
SMILES: CC(=O)Nc1c(C)cccc1C
CAS データベース: 2198 · 2198-53-0(CAS DataBase Reference)
EPAの化学物質情報: Acetamide, N-(2,6-dimethylphenyl)- (2198-53-0)

化学的性質

化学的特性off-white to yellow cryst. needles or cryst.powder

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, P317, 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 45 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

危険有害性情報

Hazard Classes and CategoriesAcute Tox. 4 (100%)

安全データ

wgk: 3
tsca: TSCA listed
rtecs: AN7470000
毒性: LD50 orl-mus: 620 mg/kg TXAPA9 19,20,71
hs_code: 29242990
risk_code: 20/21/22-36/37/38
hazard_code: Xn
safety_code: 26-36
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

Use ClassificationEnvironmental transformation -> Pesticide transformation products (metabolite, successor)

General Manufacturing InformationAcetamide, N-(2,6-dimethylphenyl)-: ACTIVE

応用分野 · 3 件

用途有機合成原料。

使用Lidocaine (L397800) impurity.

一般的な説明2,6-Dimethylacetanilide undergoes iodination by electrophylic substitution reaction of chloroacetanilide, in the presence of ferroiodide and copperchloride as catalyst, to form 4-iodine-2,6-dimethylacetanilide.