4-フルオロ-2-メトキシ安息香酸

Methyl 4-fluoro-2-methoxybenzoate

HCID 10241478

ノート反応

部分構造検索類似構造を探す

基本情報

CAS: 204707-42-6
標準SMILES: COC(=O)c1ccc(F)cc1OC
InChIKey: LJUAEPNTXDJBRX-UHFFFAOYSA-N
分子式: C9H9FO3
平均分子量: 184.16 g/mol
単同位体質量: 184.05357237

名称と識別子

優先名称: Methyl 4-fluoro-2-methoxybenzoate
IUPAC: methyl 4-fluoro-2-methoxybenzoate
現地名: 4-フルオロ-2-メトキシ安息香酸
英語名: 4-Fluoro-2-methoxybenzoic acid methyl ester
分子式: C9H9FO3
分子量: 184.16

名称と別名

Methyl 4-fluoro-2-methoxybenzoateBenzoic acid, 4-fluoro-2-methoxy-, methyl esterRefChem:816412606-563-4204707-42-64-Fluoro-2-methoxybenzoic acid methyl esterMFCD06203990Methyl 4-fluoro-2-methoxy-benzoateMethyl 2-methoxy-4-fluoro-benzoateSCHEMBL1146881Methyl4-fluoro-2-methoxybenzoateDTXSID70437147

名称をさらに表示

RARECHEM AL BF 1023Methyl 2-methoxy-4-fluorobenzoateMethyl 4-fluoro-2-Methoxybenzoate, 97+%2-Fluoro-2-methoxybenzoic acid methyl esterJR-13782, Methyl 4-fluoro-2-methoxybenzoate, 97%

LJUAEPNTXDJBRX-UHFFFAOYSA-NMethyl-4-fluoro-2-methoxybenzoateAKOS006282320AB23214CS-W017009AC-14741AS-40546DA-19348

データベース識別子

CAS: 204707-42-6
PubChem CID: 10241478
DTXSID: DTXSID70437147
EC Number: 606-563-4
Nikkaji: J2.723.252C

物性

構造計算による物性

XLogP: 2.1
極性表面積: 35.5 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: 3
重原子数: 13
形式電荷: 0
複雑度: 184

物理化学的性質

融点: 134 · 134-136°C
沸点: 232 ℃ · 232℃
比重(密度): 1.184 · 1.184
闪点: 91 ℃ · 91℃
貯蔵温度: Sealed in dry,Room Temperature
外見: solid
InChI: InChI=1S/C9H9FO3/c1-12-8-5-6(10)3-4-7(8)9(11)13-2/h3-5H,1-2H3
InChIKey: LJUAEPNTXDJBRX-UHFFFAOYSA-N
SMILES: C(OC)(=O)C1=CC=C(F)C=C1OC

安全と法規制

GHS分類

GHS Classification · 5 件

This chemical does not meet GHS hazard criteria for 25% (1 of 4) 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 4 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.