CAS 62257-15-2 2-Fluoro-5-methoxyaniline (HCID 13559075)

基本情報

CAS: 62257-15-2
標準SMILES: COc1ccc(F)c(N)c1
InChIKey: RUTKJXMYXZFXPQ-UHFFFAOYSA-N
分子式: C7H8FNO
平均分子量: 141.14 g/mol
単同位体質量: 141.0589921

名称と識別子

優先名称: 2-Fluoro-5-methoxyaniline
IUPAC: 2-fluoro-5-methoxyaniline
英語名: Benzenamine, 2-fluoro-5-methoxy- (9CI)
分子式: C7H8FNO
分子量: 141.14

名称と別名

2-Fluoro-5-methoxyaniline62257-15-2DTXSID60543842RefChem:260991DTXCID00494627694-924-72-fluoro-5-methoxy-aniline2-fluoro-5-methoxybenzenamineMFCD11226283BENZENAMINE, 2-FLUORO-5-METHOXY-Benzenamine, 2-fluoro-5-methoxy- (9CI)SCHEMBL1187335

名称をさらに表示

3-Amino-4-fluoroanisole2-Fluoro-5-Methoxy-phenylaMineBenzenaMine,2-fluoro-5-Methoxy-3-Amino-4-fluoroanisole, 6-Fluoro-m-anisidine3-AMino-4-fluoroanisole[2-Fluoro-5-Methoxyaniline]

AMY36962BCP25452CL8982AKOS006309619AC-4495CS-W009062FF66275BS-13341

データベース識別子

CAS: 62257-15-2
PubChem CID: 13559075
DTXSID: DTXSID60543842
EC Number: 694-924-7

物性

構造計算による物性

XLogP: 1.4
極性表面積: 35.3 Å²
水素結合供与体数: 1
水素結合受容体数: 3
回転可能結合数: 1
重原子数: 10
形式電荷: 0
複雑度: 110

物理化学的性質

沸点: 237.6 · 237.6±20.0 °C(Predicted)
比重(密度): 1.176 · 1.176
貯蔵温度: 2 · 2-8°C(protect from light)
酸解離定数(Pka): 2.78 · 2.78±0.10(Predicted)

安全と法規制

GHS分類

GHS Classification · 4 件

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, 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.