反应SMILES:Cl.NCC(=O)c1ccc(Br)cc1
HCID2798216

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

2-amino-1-(4-bromophenyl)ethanone;hydrochloride

C8H9BrClNO250.52 g/molCAS 5467-72-1

IDENTITY

结构与身份

标准SMILES
Cl.NCC(=O)c1ccc(Br)cc1
InChIKey
ROAVTVXTYFSQEA-UHFFFAOYSA-N
分子式
C8H9BrClNO
平均分子量
250.52 g/mol
单同位素质量
248.9556

COMPUTED

结构计算性质

已同步
极性表面积
43.1 Ų
氢键供体
2
氢键受体
2
可旋转键
2
重原子
12
形式电荷
0
复杂度
141

GHS

GHS分类

来源:PubChem
GHS Classification

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.

HAZARDS

危害信息

来源:PubChem
Hazard Classes and Categories

Skin Irrit. 2 (97.9%);Eye Irrit. 2 (97.9%);STOT SE 3 (95.7%)

ALIASES

名称与别名

共 47 条
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 hydrochlorideCHEMBL18016132-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

REACTIONS

参与反应

75
HRID18354

uspto-grants-2010_06

作为反应物
HRID 18354 方程式

uspto-grants-2010_06 · 10.6084/m9.figshare.5104873.v1 · US07741347B2

查看
HRID71740

uspto-grants-2014_09

作为反应物
HRID 71740 方程式

uspto-grants-2014_09 · 10.6084/m9.figshare.5104873.v1 · US08822430B2

查看
HRID71758

uspto-grants-2014_09

作为反应物
HRID 71758 方程式

uspto-grants-2014_09 · 10.6084/m9.figshare.5104873.v1 · US08822430B2

查看
HRID71787

uspto-grants-2014_09

作为反应物
HRID 71787 方程式

uspto-grants-2014_09 · 10.6084/m9.figshare.5104873.v1 · US08822430B2

查看
HRID71789

uspto-grants-2014_09

作为反应物
HRID 71789 方程式

uspto-grants-2014_09 · 10.6084/m9.figshare.5104873.v1 · US08822430B2

查看
HRID71795

uspto-grants-2014_09

作为反应物
HRID 71795 方程式

uspto-grants-2014_09 · 10.6084/m9.figshare.5104873.v1 · US08822430B2

查看
HRID71801

uspto-grants-2014_09

作为反应物
HRID 71801 方程式

uspto-grants-2014_09 · 10.6084/m9.figshare.5104873.v1 · US08822430B2

查看
HRID71805

uspto-grants-2014_09

作为反应物
HRID 71805 方程式

uspto-grants-2014_09 · 10.6084/m9.figshare.5104873.v1 · US08822430B2

查看