1-(3-クロロプロポキシ)-4-フルオロベンゼン

1-(3-Chloropropoxy)-4-fluorobenzene

HCID 74391

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基本情報

CAS: 1716-42-3
標準SMILES: Fc1ccc(OCCCCl)cc1
InChIKey: DFFWYMMOMUTKOI-UHFFFAOYSA-N
分子式: C9H10ClFO
平均分子量: 188.62 g/mol
単同位体質量: 188.04042084

名称と識別子

優先名称: 1-(3-Chloropropoxy)-4-fluorobenzene
IUPAC: 1-(3-chloropropoxy)-4-fluorobenzene
現地名: 1-(3-クロロプロポキシ)-4-フルオロベンゼン
英語名: 1-(3-Chloropropoxy)-4-fluorobenzene
分子式: C9H10ClFO
分子量: 188.63

名称と別名

1-(3-Chloropropoxy)-4-fluorobenzene1716-42-3EINECS 217-000-3DFFWYMMOMUTKOI-UHFFFAOYSA-DTXSID50169136RefChem:74318DTXCID2091627217-000-3InChI=1/C9H10ClFO/c10-6-1-7-12-9-4-2-8(11)3-5-9/h2-5H,1,6-7H23-(4-Fluorophenoxy)propyl ChlorideMFCD000189863-chloro-1-(4-fluorophenoxy)propane

名称をさらに表示

1-(3-クロロプロポキシ)-4-フルオロベンゼン3-クロロプロピル(4-フルオロフェニル)エーテル塩化3（4フルオロフェノキシプロピル）3-(4-フルオロフェノキシ)プロピルクロリドTIMTEC-BB SBB0036741-(3-Chloropropoxy)-4-FluorochloropropylanisoleFluorophenoxy)propylchloride1-(3-Chloropropoxy)-4-fluoro4-Fluorophenoxypropyl chloride1-Chloro-3-(4-fluorophenoxy)pr3-CHLOROPROPYL 4-FLUOROPHENYL ETHER1-(4-fluorophenoxy)-3-chloropropane

Benzene, 1-(3-chloropropoxy)-4-fluoro-1-(3-chloro-propoxy)-4-fluorobenzene1-chloro-3-(4-fluorophenoxy)-propane3-(4-Fluorophenoxy)propyl chloride, 1-chloro-3-(4-fluorophenoxy)-propane1-(3-chloropropoxy)-4-fluoro-benzeneSCHEMBL167606SCHEMBL97217483-(4-Fluorophenosy)propylchloride

データベース識別子

CAS: 1716-42-3
PubChem CID: 74391
DTXSID: DTXSID50169136
EC Number: 217-000-3
Nikkaji: J203.109D

物性

構造計算による物性

XLogP: 2.9
極性表面積: 9.2 Å²
水素結合供与体数: 0
水素結合受容体数: 2
回転可能結合数: 4
重原子数: 12
形式電荷: 0
複雑度: 113

物理化学的性質

沸点: 118 · 118-120 °C (10 mmHg)
比重(密度): 1.2 · 1.2
屈折率: 1.504 · 1.504-1.508
貯蔵温度: Sealed in dry,Room Temperature
CAS データベース: 1716 · 1716-42-3(CAS DataBase Reference)

化学的性質

化学的特性CLEAR YELLOWISH TO ORANGE LIQUID

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)

Aggregated GHS information provided per 7 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

危険有害性情報

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

安全データ

ridadr: 3265
hs_code: 29093090
risk_code: 36/37/38
消防法: 危-4-3-III
hazard_code: Xi
hazard_note: Irritant
safety_code: 24/25-36-26

化学と産業

応用分野 · 1 件

使用1-(3-Chloropropoxy)-4-fluorobenzene was used as a reagent in the preparation of a library of hydantoin compds which has used to study Aurora kinase A inhibitory activity. It was also used as an alkylation agent in the preparation of tetracyclic quinoxaline butyrophenones as 5-HT2A and postsynaptic D2 antagonists and inhibitors of serotonin transporter for treatment of neuropsychiatric and neurological disorders.