1-(4-ブロモ-3-メチルフェニル)エタノン

1-(4-Bromo-3-methylphenyl)ethanone

HCID 347124CAS 37074-40-1

部分構造検索類似構造を探す

基本情報

標準SMILES: CC(=O)c1ccc(Br)c(C)c1
InChIKey: QRTFRIPKQPOIPI-UHFFFAOYSA-N
分子式: C9H9BrO
平均分子量: 213.07 g/mol
単同位体質量: 211.98367701

名称と識別子

優先名称: 1-(4-Bromo-3-methylphenyl)ethanone
IUPAC: 1-(4-bromo-3-methylphenyl)ethanone
現地名: 1-(4-ブロモ-3-メチルフェニル)エタノン
英語名: 4'-Bromo-3'-methylacetophenone
分子式: C9H9BrO
分子量: 213.07

名称と別名

1-(4-bromo-3-methylphenyl)ethanoneDTXSID70324063RefChem:424922DTXCID50275180864-619-537074-40-14'-bromo-3'-methylacetophenone1-(4-bromo-3-methylphenyl)ethan-1-oneMFCD00045017NSC405623Ethanone, 1-(4-bromo-3-methylphenyl)-SCHEMBL588574

名称をさらに表示

1-(4-ブロモ-3-メチルフェニル)エタノンFluralaner Impurity 293-Methyl-4-bromoacetophenoneNSC 405623Fluralaner-0034-Bromo-3-methylacetophenone4-bromo-3-methylbenzenethylone

SCHEMBL29784872QRTFRIPKQPOIPI-UHFFFAOYSA-N1-(4-bromo-3-methyl-phenyl)ethanoneAKOS000299252FB70251NSC-4056231-(4-bromo-3-methyl-phenyl)-ethanone4'-Bromo-3'-methylacetophenone, 75%

データベース識別子

CAS: 37074-40-1
PubChem CID: 347124
DTXSID: DTXSID70324063
EC Number: 864-619-5

物性

構造計算による物性

XLogP: 3.3
極性表面積: 17.1 Å²
水素結合供与体数: 0
水素結合受容体数: 1
回転可能結合数: 1
重原子数: 11
形式電荷: 0
複雑度: 156

物理化学的性質

融点: 31 · 31-32 °C
沸点: 157 · 157-159 °C(Press: 19 Torr)
比重(密度): 1.388 · 1.388±0.06 g/cm3(Predicted)
貯蔵温度: Sealed in dry,Room Temperature
溶解性: Chloroform (Slightly), Methanol (Slightly)
外見: fused solid
色: Pale lemon

安全と法規制

GHS分類

GHS Classification · 4 件

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/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 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

危険有害性情報

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

安全データ

hs_code: 2914390090

化学と産業

応用分野

使用4'-Bromo-3'-methylacetophenone is a versatile building block that is used in the synthesis of many complex compounds. It can be used as a reactant, reagent, or speciality chemical.