2-クロロ-N-(4-クロロフェニル)アセトアミド

2,4'-Dichloroacetanilide

HCID 94920CAS 3289-75-6

部分構造検索類似構造を探す

基本情報

標準SMILES: O=C(CCl)Nc1ccc(Cl)cc1
InChIKey: UDRCRMHFHHTVSN-UHFFFAOYSA-N
分子式: C8H7Cl2NO
平均分子量: 204.05 g/mol
単同位体質量: 202.9904692

名称と識別子

優先名称: 2,4'-Dichloroacetanilide
IUPAC: 2-chloro-N-(4-chlorophenyl)acetamide
現地名: 2-クロロ-N-(4-クロロフェニル)アセトアミド
英語名: N-(4-Chlorophenyl)-2-chloroacetamide
分子式: C8H7Cl2NO
分子量: 204.05

名称と別名

2,4'-DichloroacetanilideRefChem:442657636-504-82-chloro-N-(4-chlorophenyl)acetamide3289-75-6N-(4-Chlorophenyl)-2-chloroacetamideN1-(4-Chlorophenyl)-2-ChloroacetamideMFCD00018904Acetamide, 2-chloro-N-(4-chlorophenyl)-NSC-83692,4 inverted exclamation marka-DichloroacetanilideNSC8369

名称をさらに表示

2-クロロ-N-(4-クロロフェニル)アセトアミドN1-(4-クロロフェニル)-2-クロロアセトアミドAKOS 92092AKOS B015617AKOS BBS-00003958ART-CHEM-BB B015617Acetanilide,2,4’-dichloro-4-Chloro-N-(chloroacetyl)aniline

N-(4-Chlorophenyl)chloroacetamideNSC 8369AI3-23540Chloroacet-4-chloroanilidealpha,4-Dichloroacetanilide2-Chloro-4'-chloroacetanilideAcetanilide, 2,4'-dichloro-GNF-Pf-1811

データベース識別子

CAS: 3289-75-6
PubChem CID: 94920
DTXSID: DTXSID90186544
ChEMBL: CHEMBL531947
UNII: PZ985JU2E3
EC Number: 636-504-8
Nikkaji: J1.395.872F

物性

構造計算による物性

XLogP: 2.3
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: 12
形式電荷: 0
複雑度: 155

物理化学的性質

融点: 168 °C · 168 °C
沸点: 368.8 · 368.8±27.0 °C(Predicted)
比重(密度): 1.399 · 1.399±0.06 g/cm3(Predicted)
貯蔵温度: Inert atmosphere,Room Temperature
外見: Solid
酸解離定数(Pka): 12.02 · 12.02±0.70(Predicted)
色: Light brown to brown
CAS データベース: 3289 · 3289-75-6(CAS DataBase Reference)

安全と法規制

GHS分類

GHS Classification · 5 件

Danger

H317 (95.1%): May cause an allergic skin reaction [Warning Sensitization, Skin]；H318 (100%): Causes serious eye damage [Danger Serious eye damage/eye irritation]

P261, P264+P265, P272, P280, P302+P352, P305+P354+P338, P317, P321, P333+P317, P362+P364, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 41 reports by companies from 3 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.