2-(2-Bromo-4-methylphenoxy)acetophenone

HCID 4077236CAS 63188-78-3

基本情報

標準SMILES: Cc1ccc(OCC(=O)c2ccccc2)c(Br)c1
InChIKey: BTISHSOIFDWYLH-UHFFFAOYSA-N
分子式: C15H13BrO2
平均分子量: 305.17 g/mol
単同位体質量: 304.00989176

名称と識別子

優先名称: 2-(2-Bromo-4-methylphenoxy)acetophenone
IUPAC: 2-(2-bromo-4-methylphenoxy)-1-phenylethanone

名称と別名

2-(2-BROMO-4-METHYLPHENOXY)ACETOPHENONE63188-78-3DTXSID00399082RefChem:250437DTXCID00349941666-105-42-(2-bromo-4-methylphenoxy)-1-phenylethan-1-oneSCHEMBL11555227BTISHSOIFDWYLH-UHFFFAOYSA-NAKOS008903558alpha-(2-bromo-4-methylphenoxy)acetophenone

データベース識別子

CAS: 63188-78-3
PubChem CID: 4077236
DTXSID: DTXSID00399082
EC Number: 666-105-4

物性

構造計算による物性

XLogP: 4.4
極性表面積: 26.3 Å²
水素結合供与体数: 0
水素結合受容体数: 2
回転可能結合数: 4
重原子数: 18
形式電荷: 0
複雑度: 274

安全と法規制

GHS分類

GHS Classification · 4 件

Warning

H400 (100%): Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard]

P273, P391, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 38 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.