2-アミノ-4'-ブロモアセトフェノン塩酸塩

2-Amino-1-(4-bromophenyl)ethan-1-one hydrochloride

HCID 2798216

ノート反応

部分構造検索類似構造を探す

基本情報

CAS: 5467-72-1
標準SMILES: Cl.NCC(=O)c1ccc(Br)cc1
InChIKey: ROAVTVXTYFSQEA-UHFFFAOYSA-N
分子式: C8H9BrClNO
平均分子量: 250.52 g/mol
単同位体質量: 248.9556

名称と識別子

優先名称: 2-Amino-1-(4-bromophenyl)ethan-1-one hydrochloride
IUPAC: 2-amino-1-(4-bromophenyl)ethanone;hydrochloride
現地名: 2-アミノ-4'-ブロモアセトフェノン塩酸塩
英語名: 2-Amino-4'-bromoacetophenone hydrochloride
分子式: C8H9BrClNO
分子量: 250.52

名称と別名

2-Amino-1-(4-bromophenyl)ethan-1-one hydrochlorideRefChem:463133226-778-35467-72-14-Bromophenacylamine hydrochloride2-Amino-4'-bromoacetophenone hydrochloride2-amino-1-(4-bromophenyl)ethanone HydrochlorideMFCD000519982-AMINO-4-BROMOACETOPHENONE HYDROCHLORIDEEthanone, 2-amino-1-(4-bromophenyl)-, hydrochloride2-Amino-4'-bromoacetophenone HCl2-Amino-4'-Bromoacetophenone hydrochloride;2-Amino-4'-Bromoacetophenone hydrochloride

名称をさらに表示

2-アミノ-4'-ブロモアセトフェノン塩酸塩2-アミノ-1-(4-ブロモフェニル)-1-エタノン塩酸塩4-ブロモフェナシルアミン塩酸塩4-ブロモフェナシルアミン・塩酸塩2-Amino-3’-chloroacetophenone 99+% (HPLC)-bromoacetophenone hydrochloride-chloroacetophenone hydrochloride-hydroxyacetophenone hydrochloridealpha-Amino-4-bromoacetophenoneHCl2-Amino-1-(4-bromo-phenyl)-ethanone

CHEMBL18016132-amino-1-(4-bromophenyl)ethan-1-one, chloride2-Amino-1-(4-bromophenyl)ethan-1-one Hydrochloride; 2-Amino-1-(4-bromophenyl)ethanone Hydrochloride; N-p-Bromophenacylamine Hydrochloride; a-Amino-p-bromoacetophenone HydrochlorideSCHEMBL203985p-bromophenacylamine hydrochlorideDTXSID601364900NSC25405CCG-45828

データベース識別子

CAS: 5467-72-1
PubChem CID: 2798216
DTXSID: DTXSID601364900
ChEMBL: CHEMBL1801613
EC Number: 226-778-3

物性

構造計算による物性

極性表面積: 43.1 Å²
水素結合供与体数: 2
水素結合受容体数: 2
回転可能結合数: 2
重原子数: 12
形式電荷: 0
複雑度: 141

物理化学的性質

融点: 285 °C · 285 °C (dec.)(lit.)
貯蔵温度: Refrigerator
溶解性: DMSO（微量）、メタノール（微量）
外見: 個体
色: ホワイトからオフホワイト
BRN: 3630035 · 3630035
InChI: InChI=1S/C8H8BrNO.ClH/c9-7-3-1-6(2-4-7)8(11)5-10;/h1-4H,5,10H2;1H
InChIKey: ROAVTVXTYFSQEA-UHFFFAOYSA-N
SMILES: C1(C(=O)CN)=CC=C(Br)C=C1.Cl
CAS データベース: 5467 · 5467-72-1(CAS DataBase Reference)

安全と法規制

GHS分類

GHS Classification · 6 件

This chemical does not meet GHS hazard criteria for 2.1% (1 of 47) of reports.

Warning

H315 (97.9%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (97.9%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (95.7%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

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

Aggregated GHS information provided per 47 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Reported as not meeting GHS hazard criteria per 1 of 47 reports by companies.；There are 6 notifications provided by 46 of 47 reports by companies with hazard statement code(s).；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.