CAS 28478-46-8 Methyl 4-hydroxy-2-methoxybenzoate (HCID 12532676)

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基本情報

CAS: 28478-46-8
標準SMILES: COC(=O)c1ccc(O)cc1OC
InChIKey: KCWJRQPHPPKPBK-UHFFFAOYSA-N
分子式: C9H10O4
平均分子量: 182.17 g/mol
単同位体質量: 182.0579088

概要

Methyl 4-hydroxy-2-methoxybenzoate has been reported in Schnella guianensis with data available.

名称と識別子

優先名称: Methyl 4-hydroxy-2-methoxybenzoate
IUPAC: methyl 4-hydroxy-2-methoxybenzoate
英語名: 4-HYDROXY-2-METHOXY-BENZOIC ACID METHYL ESTER
分子式: C9H10O4
分子量: 182.18

名称と別名

Methyl 4-hydroxy-2-methoxybenzoate28478-46-8Benzoic acid, 4-hydroxy-2-methoxy-, methyl esterDTXSID70501559RefChem:816453DTXCID60452369804-980-84-Hydroxy-2-methoxy-benzoic acid methyl esterMFCD062038154-hydroxy-2-methoxybenzoic acid methyl esterMethyl4-hydroxy-2-methoxybenzoatemethyl 4-hydroxy-2-methoxy-benzoate

名称をさらに表示

4-Hydroxy-2-Methoxy-BenzoicacMethyl 4-hydroxy-o-anisate

4-HYDROXY-2-METHOXY-BENZOICACIDMETHYLESTERSCHEMBL3228954-HYDROXY-2-METHOXY-BECHEMBL2252250KCWJRQPHPPKPBK-UHFFFAOYSA-NMethyl 2-methoxy-4-hydroxybenzoateDBA47846AKOS006294725

データベース識別子

CAS: 28478-46-8
PubChem CID: 12532676
DTXSID: DTXSID70501559
ChEMBL: CHEMBL2252250
EC Number: 804-980-8
Nikkaji: J2.084.275J

物性

構造計算による物性

XLogP: 1.7
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: 3
重原子数: 13
形式電荷: 0
複雑度: 180

物理化学的性質

融点: 150 · 150-151℃
貯蔵温度: Inert atmosphere,Room Temperature

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

H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]

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)

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.

危険有害性情報

Hazard Classes and CategoriesAcute Tox. 4 (50%)

安全データ

hs_code: 2918999090

化学と産業

応用分野

使用Methyl 4-Hydroxy-2-methoxybenzoate is a reagent used in the synthesis of sphingosine-1-phosphate receptor agonist Ceralifimod used in the treatment of autoimmune diseases.