CAS 1052647-21-8 Methyl 2-methoxy-4-methyl-5-(tetramethyl-1,3,2-dioxaborolan-2-yl)benzoate (HCID 59224652)

基本情報

CAS: 1052647-21-8
標準SMILES: COC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)c(C)cc1OC
InChIKey: HOGKWPLWXKLNFE-UHFFFAOYSA-N
分子式: C16H23BO5
平均分子量: 306.2 g/mol

名称と識別子

優先名称: Methyl 2-methoxy-4-methyl-5-(tetramethyl-1,3,2-dioxaborolan-2-yl)benzoate
IUPAC: methyl 2-methoxy-4-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoate
英語名: methyl 2-methoxy-4-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoate
分子式: C16H23BO5
分子量: 306.16

名称と別名

1052647-21-8methyl 2-methoxy-4-methyl-5-(tetramethyl-1,3,2-dioxaborolan-2-yl)benzoateRefChem:814502992-183-7methyl 2-methoxy-4-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoateSCHEMBL252045HOGKWPLWXKLNFE-UHFFFAOYSA-NDA-32951CS-0368857H36169EN300-12576821F758221

名称をさらに表示

A1-08397Z2044773215Methyl 2-methoxy-4-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benz...Methyl-2-methoxy-4-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoate2-methoxy-4-methyl-5-(4,4,5,5-tetramethyl[1,3,2]dioxaborolan-2-yl)benzoic acid methyl esterBenzoic acid, 2-methoxy-4-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-, methyl ester

データベース識別子

CAS: 1052647-21-8
PubChem CID: 59224652
EC Number: 992-183-7

物性

構造計算による物性

極性表面積: 54 Å²
水素結合供与体数: 0
水素結合受容体数: 5
回転可能結合数: 4
重原子数: 22
形式電荷: 0
複雑度: 407

物理化学的性質

沸点: 422.8 · 422.8±45.0 °C(Predicted)
比重(密度): 1.09 · 1.09±0.1 g/cm3(Predicted)
貯蔵温度: Store at room temperature

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)

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