2-Bromo-1-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethan-1-one

HCID 14913650

ノート反応

部分構造検索類似構造を探す

基本情報

CAS: 103788-62-1
標準SMILES: Cc1oc(-c2ccccc2)nc1C(=O)CBr
InChIKey: RSBWHTQEZHZARK-UHFFFAOYSA-N
分子式: C12H10BrNO2
平均分子量: 280.12 g/mol
単同位体質量: 278.98949

名称と識別子

優先名称: 2-Bromo-1-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethan-1-one
IUPAC: 2-bromo-1-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethanone
英語名: 2-broMo-1-(5-Methyl-2-phenyloxazol-4-yl)ethanone
分子式: C12H10BrNO2
分子量: 280.12

名称と別名

103788-62-12-bromo-1-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethan-1-oneRefChem:465989869-552-52-bromo-1-(5-methyl-2-phenyloxazol-4-yl)ethanone2-bromo-1-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethanone2-Bromo-1-(5-methyl-2-phenyloxazol-4-yl)ethan-1-one2-phenyl-4-bromoacetyl-5-methyloxazoleSCHEMBL3093844RSBWHTQEZHZARK-UHFFFAOYSA-N4-bromoacetyl-5-methyl-2-phenyloxazoleD78790

名称をさらに表示

Ethanone, 2-bromo-1-(5-methyl-2-phenyl-4-oxazolyl)-

EN300-117452322-bromo-1-(5-methyl-2-phenyl-oxazol-4-yl)-ethanone4-(2-bromo-1-oxoethyl)-5-methyl-2-phenyl-1,3-oxazole

データベース識別子

CAS: 103788-62-1
PubChem CID: 14913650
EC Number: 869-552-5

物性

構造計算による物性

XLogP: 3.2
極性表面積: 43.1 Å²
水素結合供与体数: 0
水素結合受容体数: 3
回転可能結合数: 3
重原子数: 16
形式電荷: 0
複雑度: 253

物理化学的性質

外見: solid
InChI: 1S/C12H10BrNO2/c1-8-11(10(15)7-13)14-12(16-8)9-5-3-2-4-6-9/h2-6H,7H2,1H3
InChIKey: RSBWHTQEZHZARK-UHFFFAOYSA-N

安全と法規制

GHS分類

GHS Classification · 5 件

Danger

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H318 (100%): Causes serious eye damage [Danger Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, 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.