Methyl 5-bromo-4-oxopentanoate

HCID 9855825

ノート反応

データを補完しています。通常は 1 分以内に完了します

部分構造検索類似構造を探す

基本情報

CAS: 53856-93-2
標準SMILES: COC(=O)CCC(=O)CBr
InChIKey: AUQDWNOSVDUIAT-UHFFFAOYSA-N
分子式: C6H9BrO3
平均分子量: 209.04 g/mol
単同位体質量: 207.97350625

名称と識別子

優先名称: Methyl 5-bromo-4-oxopentanoate
IUPAC: methyl 5-bromo-4-oxopentanoate

名称と別名

methyl 5-bromo-4-oxopentanoateRefChem:816970695-983-153856-93-2MFCD18800850methyl 5-bromolevulinateMethyl 5-bromo-4-oxo-pentanoatePentanoic acid, 5-bromo-4-oxo-, methyl ester5-bromo-4-oxopentanoic acid methyl ester5-bromolevulinic acid methyl ester5-bromo-4-oxo-pentanoic acid methyl ester5-bromolevulinic methyl ester

名称をさらに表示

methyl5-bromo-4-oxopentanoateorb3176409SCHEMBL1160631DTXSID10431841AUQDWNOSVDUIAT-UHFFFAOYSA-NALBB-027729AKOS0052644255-bromo-4-oxo-valeric acid methylester

データベース識別子

CAS: 53856-93-2
PubChem CID: 9855825
DTXSID: DTXSID10431841
EC Number: 695-983-1
Nikkaji: J522.625B

物性

構造計算による物性補完中

XLogP: 0.7
極性表面積: 43.4 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: 5
重原子数: 10
形式電荷: 0
複雑度: 133

安全と法規制

GHS分類

GHS Classification · 5 件

This chemical does not meet GHS hazard criteria for 50% (1 of 2) of reports.

Warning

H303 (50%): May be harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P271, P280, P301+P317, P302+P317, P302+P352, P304+P317, 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.