2-Bromo-1-(3,4-dimethylphenyl)ethan-1-one

HCID 3703113

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基本情報

CAS: 2633-50-3
標準SMILES: Cc1ccc(C(=O)CBr)cc1C
InChIKey: LTCYMNSEASALNB-UHFFFAOYSA-N
分子式: C10H11BrO
平均分子量: 227.1 g/mol
単同位体質量: 225.99932707

名称と識別子

優先名称: 2-Bromo-1-(3,4-dimethylphenyl)ethan-1-one
IUPAC: 2-bromo-1-(3,4-dimethylphenyl)ethanone
英語名: 2-Bromo-1-(3,4-dimethyl-phenyl)-ethanone
分子式: C10H11BrO
分子量: 227.1

名称と別名

2-Bromo-1-(3,4-dimethylphenyl)ethan-1-oneRefChem:465902824-357-42633-50-32-bromo-1-(3,4-dimethylphenyl)ethanone2-Bromo-1-(3,4-dimethyl-phenyl)-ethanoneMFCD004608602-bromo-3',4'-dimethylacetophenoneEthanone, 2-bromo-1-(3,4-dimethylphenyl)-Enamine_0051573,4-dimethyl-phenacylbromide3,4-dimethylphenacyl bromide

名称をさらに表示

3,4-dimethyl phenacyl bromide3,4-dimethyl-phenacyl bromideSCHEMBL1726590SCHEMBL30187429DTXSID20395263LTCYMNSEASALNB-UHFFFAOYSA-NHMS1408K09CAA63350

データベース識別子

CAS: 2633-50-3
PubChem CID: 3703113
DTXSID: DTXSID20395263
EC Number: 824-357-4

物性

構造計算による物性

XLogP: 3.7
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: 2
重原子数: 12
形式電荷: 0
複雑度: 167

物理化学的性質

融点: 65 °C · 65 °C
沸点: 292.6 · 292.6±25.0 °C(Predicted)
比重(密度): 1.362 · 1.362±0.06 g/cm3(Predicted)
貯蔵温度: 2 · Storage temp. 2-8°C

安全と法規制

GHS分類

GHS Classification · 4 件

Danger

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P260, P261, P264, P264+P265, P270, P271, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P319, P321, P330, P332+P317, P337+P317, P362+P364, P363, P403+P233, P405, and P501 (click each P-code to see the statement)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.