4-ベンジルオキシサリチル酸メチル

Methyl 4-(benzyloxy)-2-hydroxybenzoate

HCID 225489CAS 5427-29-2

部分構造検索類似構造を探す

基本情報

標準SMILES: COC(=O)c1ccc(OCc2ccccc2)cc1O
InChIKey: PHYPTZODBQEMJU-UHFFFAOYSA-N
分子式: C15H14O4
平均分子量: 258.27 g/mol
単同位体質量: 258.08920892

名称と識別子

優先名称: Methyl 4-(benzyloxy)-2-hydroxybenzoate
IUPAC: methyl 2-hydroxy-4-phenylmethoxybenzoate
現地名: 4-ベンジルオキシサリチル酸メチル
英語名: methyl 2-hydroxy-4-phenylmethoxy-benzoate
分子式: C15H14O4
分子量: 258.27

名称と別名

methyl 4-(benzyloxy)-2-hydroxybenzoate5427-29-2DTXSID90279980RefChem:815989DTXCID40231134856-888-2methyl 2-hydroxy-4-phenylmethoxybenzoateMFCD01098916METHYL 2-HYDROXY-4-PHENYLMETHOXY-BENZOATE2-hydroxy-4-(phenylmethoxy)benzoic acid methyl estermethyl 4-benzyloxy-2-hydroxybenzoate4-(Benzyloxy)salicyclic Acid Methyl Ester; 4-Benzyloxy-2-hydroxybenzoic Acid Methyl Ester; Methyl 2-Hydroxy-4-benzyloxybenzoate; Methyl 4-Benzyloxy-2-hydroxybenzoate; NSC 14990;

名称をさらに表示

メチル 4-(ベンジルオキシ)-2-ヒドロキシベンゾアート2-ヒドロキシ-4-(ベンジルオキシ)安息香酸メチル4-ベンジルオキシサリチル酸メチルJR-13546, Methyl 4-(benzyloxy)-2-hydroxybenzoate, 95%Benzoic acid, 2-hydroxy-4-(phenylmethoxy)-, methyl esterMETHYL 2-HYDROXY-4-PHENYLMETHOXY-BENZOATEMETHYL 2-HYDROXY-4-PHENYLMETHOXY-BENZOATE

NSC14990SCHEMBL629952PHYPTZODBQEMJU-UHFFFAOYSA-NMethyl 2-hydroxy-4-benzyloxybenzoateNSC-14990AKOS024355319methyl 4-benzyloxy-2-hydroxy-benzoatemethyl4-(benzyloxy)-2-hydroxybenzoate

データベース識別子

CAS: 5427-29-2
PubChem CID: 225489
DTXSID: DTXSID90279980
EC Number: 856-888-2
Nikkaji: J2.452.768I

物性

構造計算による物性

XLogP: 3.4
極性表面積: 55.8 Å²
水素結合供与体数: 1
水素結合受容体数: 4
回転可能結合数: 5
重原子数: 19
形式電荷: 0
複雑度: 286

物理化学的性質

融点: 102 · 102-104 °C
沸点: 404.8 · 404.8±30.0 °C(Predicted)
比重(密度): 1.227 · 1.227±0.06 g/cm3(Predicted)
溶解性: クロロホルム;アセトン
酸解離定数(Pka): 9.38 · 9.38±0.10(Predicted)

安全と法規制

GHS分類

GHS Classification · 5 件

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning 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+P351+P338, 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.

危険有害性情報

Hazard Classes and CategoriesAcute Tox. 4 (100%)；Skin Irrit. 2 (100%)；Eye Irrit. 2A (100%)；STOT SE 3 (100%)

安全データ

危険有害性情報: コード危険有害性情報危険有害性クラス区分注意喚起語シンボル P コード H302

化学と産業

応用分野

使用2-Hydroxy-4-(phenylmethoxy)benzoic Acid Methyl Ester is an intermediate used in the synthesis of 4-Hydroxy Flecainide (H942485), which is an analogue of Flecainide (F390000).