4'-(クロロメチル)アセトアニリド

Acetamide, N-(4-(chloromethyl)phenyl)-

HCID 148705CAS 54777-65-0

部分構造検索類似構造を探す

基本情報

標準SMILES: CC(=O)Nc1ccc(CCl)cc1
InChIKey: CRHLVANTDHUAOY-UHFFFAOYSA-N
分子式: C9H10ClNO
平均分子量: 183.63 g/mol
単同位体質量: 183.0450916

名称と識別子

優先名称: Acetamide, N-(4-(chloromethyl)phenyl)-
IUPAC: N-[4-(chloromethyl)phenyl]acetamide
現地名: 4'-(クロロメチル)アセトアニリド
英語名: 4-Acetamidobenzyl chloride
分子式: C9H10ClNO
分子量: 183.63

名称と別名

4-Acetamidobenzyl chloride54777-65-0N-(4-(Chloromethyl)phenyl)acetamideN-[4-(chloromethyl)phenyl]acetamideAcetamide, N-(4-(chloromethyl)phenyl)-Acetamide, N-[4-(chloromethyl)phenyl]-DTXSID90203245RefChem:551721DTXCID90125736611-197-34'-(Chloromethyl)acetanilideMFCD00060282

名称をさらに表示

4'-(クロロメチル)アセトアニリド塩化4-アセトアミドベンジル2-[4-(Chloromethyl)phenyl]acetamide4-Acetamidobenzyl chloride, N-[4-(Chloromethyl)phenyl]acetamide

4-Acetamidobenzylchloride4-acetylaminobenzyl chlorideN-[p-(Chloromethyl)phenyl]acetamide4-acetamino-benzylchlorideSCHEMBL1278968CRHLVANTDHUAOY-UHFFFAOYSA-NN-(4-chloromethylphenyl)-acetamiden-(4-chloromethyl-phenyl)-acetamide

データベース識別子

CAS: 54777-65-0
PubChem CID: 148705
DTXSID: DTXSID90203245
EC Number: 611-197-3

物性

構造計算による物性

XLogP: 1.7
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: 153

物理化学的性質

融点: 151 · 151-154°C
貯蔵温度: 2 · 2-8°C
CAS データベース: 54777 · 54777-65-0(CAS DataBase Reference)

安全と法規制

GHS分類

GHS Classification · 5 件

Danger

H302 (33.3%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H318 (33.3%): Causes serious eye damage [Danger Serious eye damage/eye irritation]；H319 (66.7%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P305+P354+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 3 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.