2-chloro-N-(2,4,6-trimethylphenyl)acetamide

HCID 2305635

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基本情報

CAS: 3910-51-8
標準SMILES: Cc1cc(C)c(NC(=O)CCl)c(C)c1
InChIKey: YQYQXBOOGVRRKI-UHFFFAOYSA-N
分子式: C11H14ClNO
平均分子量: 211.69 g/mol
単同位体質量: 211.0763918

名称と識別子

優先名称: 2-chloro-N-(2,4,6-trimethylphenyl)acetamide
IUPAC: 2-chloro-N-(2,4,6-trimethylphenyl)acetamide
英語名: 2-CHLORO-N-(2,4,6-TRIMETHYL-PHENYL)-ACETAMIDE
分子式: C11H14ClNO
分子量: 211.69

名称と別名

3910-51-82-chloro-N-(2,4,6-trimethylphenyl)acetamideDTXSID40367947RefChem:86391DTXCID50318985609-612-82-chloro-N-mesitylacetamide2-Chloro-N-(2,4,6-trimethyl-phenyl)-acetamideMFCD00228111Chloracetmesidide2-Chloro-2',4',6'-trimethylacetanilideSCHEMBL3952909

名称をさらに表示

AKOS BOR-BB-011AKOS BBS-000040442-chloro-N-(2,4,6-trimethylphenyl)ethanamide

EC 609-612-8Acetamide, 2-chloro-N-(2,4,6-trimethylphenyl)-2-Chloro-N-(2,4,6-trimethylphenyl)acetamide; 2-Chloro-2',4',6'-trimethylacetanilide; N-Mesitylchloroacetamide; alpha-ChloroacetmesidideALBB-021059BBL019151SBB004526STK119390AKOS000265387

データベース識別子

CAS: 3910-51-8
PubChem CID: 2305635
DTXSID: DTXSID40367947
EC Number: 609-612-8
Nikkaji: J423.990C

物性

構造計算による物性

XLogP: 2.8
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: 2
重原子数: 14
形式電荷: 0
複雑度: 195

物理化学的性質

融点: 178 · 178-179 °C
沸点: 324.1 · 324.1±30.0 °C(Predicted)
比重(密度): 1.158 · 1.158±0.06 g/cm3(Predicted)
溶解性: soluble in DCM
酸解離定数(Pka): 12.92 · 12.92±0.70(Predicted)
外見: Solid
色: White

安全と法規制

GHS分類

GHS Classification · 4 件

Warning

H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]

P264+P265, P280, P305+P351+P338, and P337+P317 (click each P-code to see the statement)

Aggregated GHS information provided per 40 reports by companies from 2 notifications to the ECHA C&L Inventory.

危険有害性情報

Regulatory InformationREACH registered substance: 2-chloro-N-(2,4,6-trimethylphenyl)acetamide (EC: 609-612-8)

Hazard Classes and CategoriesEye Irrit. 2 (100%)

安全データ

hazard_class: IRRITANT

化学と産業

応用分野 · 1 件

使用Chloracetmesidide is an intermediate in the synthesis of Trimecaine Hydrochloride (T765620), a local anesthetic and cardial antiarrhythmic. Trimecaine Hydrochloride is used in epidural postoperative analgesia after major urological procedures in combination with morphine.