CAS 58009-93-1 Dimethyl (3-methyl-2-oxobutyl)phosphonate (HCID 12628547)

基本情報

CAS: 58009-93-1
標準SMILES: COP(=O)(CC(=O)C(C)C)OC
InChIKey: BIIUEEHQYBFXTP-UHFFFAOYSA-N
分子式: C7H15O4P
平均分子量: 194.17 g/mol

名称と識別子

優先名称: Dimethyl (3-methyl-2-oxobutyl)phosphonate
IUPAC: 1-dimethoxyphosphoryl-3-methylbutan-2-one

名称と別名

dimethyl (3-methyl-2-oxobutyl)phosphonate58009-93-1RefChem:588090898-948-0SCHEMBL3939885BIIUEEHQYBFXTP-UHFFFAOYSA-Ndimethyl 3-methyl-2-oxobutylphosphonatedimethyl 3-methyl-2-oxo-butylphosphonateEN300-11250553-methyl-2-oxo-butylphosphonic acid dimethyl ester(3-methyl-2-oxo-butyl)-phosphonic acid dimethyl ester

データベース識別子

CAS: 58009-93-1
PubChem CID: 12628547
EC Number: 898-948-0

物性

構造計算による物性

XLogP: 1.9
極性表面積: 52.6 Å²
水素結合供与体数: 0
水素結合受容体数: 4
回転可能結合数: 5
重原子数: 12
形式電荷: 0
複雑度: 192

安全と法規制

GHS分類

GHS Classification · 4 件

Warning

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

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+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.