Methyl 2-(3,5-difluorophenyl)acetate

HCID 22270748

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基本情報

CAS: 210530-70-4
標準SMILES: COC(=O)Cc1cc(F)cc(F)c1
InChIKey: YBJMEHGTPXJXHZ-UHFFFAOYSA-N
分子式: C9H8F2O2
平均分子量: 186.15 g/mol

名称と識別子

優先名称: Methyl 2-(3,5-difluorophenyl)acetate
IUPAC: methyl 2-(3,5-difluorophenyl)acetate
英語名: (3,5-Difluoro-phenyl)-acetic acid methyl ester
分子式: C9H8F2O2
分子量: 186.16

名称と別名

Methyl 2-(3,5-difluorophenyl)acetate210530-70-4MFCD12025024(3,5-difluoro-phenyl)-acetic acid methyl ester3,5-Difluorobenzeneacetic acid methyl esterMethyl 3,5-difluorophenylacetateBenzeneacetic acid, 3,5-difluoro-, methyl esterMethyl (3,5-difluorophenyl)acetateSCHEMBL1115348Methyl 3,5-Difluorobenzeneacetatemethyl(3,5-difluorophenyl)acetateYBJMEHGTPXJXHZ-UHFFFAOYSA-N

名称をさらに表示

Methyl2-(3,5-difluorophenyl)acetateAKOS006342863FS-5425s12237SY316805CS-0138579F094754

データベース識別子

CAS: 210530-70-4
PubChem CID: 22270748
EC Number: 642-853-7

物性

構造計算による物性

XLogP: 1.9
極性表面積: 26.3 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: 174

物理化学的性質

沸点: 196.6 · 196.6±25.0 °C(Predicted)
比重(密度): 1.235 · 1.235±0.06 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.

危険有害性情報

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

安全データ

hs_code: 2916399090

化学と産業

応用分野 · 1 件

使用(3,5-Difluoro-phenyl)acetic Acid Methyl Ester was studied for its usefulness as an antibiotic. It is also used as a reactant in the synthesis of diphenylurea derivatives for combating methicillin- and vancomycin-resistant Staphylococcus aureus.