4-(4-フルオロフェノキシ)アニリン

Benzenamine, 4-(4-fluorophenoxy)-

HCID 147633CAS 36160-82-4

部分構造検索類似構造を探す

基本情報

標準SMILES: Nc1ccc(Oc2ccc(F)cc2)cc1
InChIKey: SMWBBLSINLFYAB-UHFFFAOYSA-N
分子式: C12H10FNO
平均分子量: 203.21 g/mol
単同位体質量: 203.07464216

名称と識別子

優先名称: Benzenamine, 4-(4-fluorophenoxy)-
IUPAC: 4-(4-fluorophenoxy)aniline
現地名: 4-(4-フルオロフェノキシ)アニリン
英語名: 4-(4-FLUOROPHENOXY)ANILINE
分子式: C12H10FNO
分子量: 203.21

名称と別名

4-(4-fluorophenoxy)aniline36160-82-4Benzenamine, 4-(4-fluorophenoxy)-4-(4-Fluorophenoxy)benzenamineDTXSID00189728RefChem:561855DTXCID60112219627-677-04-Amino-4'-fluorodiphenyl etherMFCD013123504-(4-fluorophenoxy)phenylamine4-(4-Fluoro-phenoxy)-phenylamine

名称をさらに表示

4-(4-フルオロフェノキシ)アニリンSALOR-INT L300837-1EA4-(4-Fluorophenoxy)aniline 97%4-(4-fluorophenoxy)benzeneamine

4-(4'-fluorophenoxy)anilineSCHEMBL364585SCHEMBL27782489TIMTEC-BB SBB009577AKOS B021931SMWBBLSINLFYAB-UHFFFAOYSA-NART-CHEM-BB B0219314-(4-Fluorophenoxy)aniline, 97%

データベース識別子

CAS: 36160-82-4
PubChem CID: 147633
DTXSID: DTXSID00189728
EC Number: 627-677-0

物性

構造計算による物性

XLogP: 2.1
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: 2
重原子数: 15
形式電荷: 0
複雑度: 184

物理化学的性質

融点: 58.9 · 58.9-60.4
沸点: 317.2 · 317.2±27.0 °C(Predicted)
比重(密度): 1.22 · 1.220±0.06 g/cm3(Predicted)
貯蔵温度: 2 · 2-8°C
酸解離定数(Pka): 4.71 · 4.71±0.10(Predicted)
外見: crystalline powder
色: Beige
InChI: InChI=1S/C12H10FNO/c13-9-1-5-11(6-2-9)15-12-7-3-10(14)4-8-12/h1-8H,14H2
InChIKey: SMWBBLSINLFYAB-UHFFFAOYSA-N
SMILES: C1(N)=CC=C(OC2=CC=C(F)C=C2)C=C1

安全と法規制

GHS分類

GHS Classification · 4 件

Danger

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

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 40 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.