CAS 128272-26-4 Methyl 2-fluoro-4-methoxybenzoate (HCID 21255685)

基本情報

CAS: 128272-26-4
標準SMILES: COC(=O)c1ccc(OC)cc1F
InChIKey: ZWXVPCDIGBXITB-UHFFFAOYSA-N
分子式: C9H9FO3
平均分子量: 184.16 g/mol
単同位体質量: 184.05357231

名称と識別子

優先名称: Methyl 2-fluoro-4-methoxybenzoate
IUPAC: methyl 2-fluoro-4-methoxybenzoate
英語名: METHYL 2-FLUORO-4-METHOXYBENZOATE
分子式: C9H9FO3
分子量: 184.16

名称と別名

Methyl 2-fluoro-4-methoxybenzoate128272-26-4Benzoic acid, 2-fluoro-4-methoxy-, methyl esterDTXSID10611686RefChem:354262DTXCID50562441603-265-6MFCD062037582-fluoro-4-methoxybenzoic acid methyl esterSCHEMBL1554929Methyl2-fluoro-4-methoxybenzoateZWXVPCDIGBXITB-UHFFFAOYSA-N

名称をさらに表示

RARECHEM AL BF 0456

methyl 2-fluoro-4-methoxy-benzoateAKOS006242945AS-50310SY239855DB-0626332-Fluoro-4-methoxy-benzoic acid methyl esterO11877EN300-7370286

データベース識別子

CAS: 128272-26-4
PubChem CID: 21255685
DTXSID: DTXSID10611686
EC Number: 603-265-6
Nikkaji: J2.844.402H

物性

構造計算による物性

XLogP: 1.8
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

沸点: 250.1 · 250.1±25.0 °C(Predicted)
比重(密度): 1.184 · 1.184±0.06 g/cm3(Predicted)
貯蔵温度: Store at room temperature

安全と法規制

GHS分類

GHS Classification · 5 件

Warning

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, 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.