4-フルオロ-3-メチルアニソール

4-Fluoro-3-methylanisole

HCID 137546CAS 2338-54-7

部分構造検索類似構造を探す

基本情報

標準SMILES: COc1ccc(F)c(C)c1
InChIKey: XZBXPBDJLUJLEU-UHFFFAOYSA-N
分子式: C8H9FO
平均分子量: 140.15 g/mol
単同位体質量: 140.06374313

名称と識別子

優先名称: 4-Fluoro-3-methylanisole
IUPAC: 1-fluoro-4-methoxy-2-methylbenzene
現地名: 4-フルオロ-3-メチルアニソール
英語名: 4-Fluoro-3-methylanisole
分子式: C8H9FO
分子量: 140.15

名称と別名

4-Fluoro-3-methylanisole2338-54-71-fluoro-4-methoxy-2-methylbenzeneDTXSID10177939RefChem:523223DTXCID20100430607-225-9Benzene, 1-fluoro-4-methoxy-2-methyl-MFCD000422931-fluoro-4-methoxy-2-methyl-benzene4-Fluoro-3-methylanisol4-Fluoro-3-methylanizole

名称をさらに表示

4-フルオロ-3-メチルアニソール4‐フルオロ‐3‐メチルアニソール4-FLUORO-3-METHYLANI4-Fluoro-3-methylanisole97%4-Fluoro-3-methylanisole 97%4-Fluoro-3-methylanisole,98%1-Fluoro-4-methoxy-3-methylbenzene, 4-Fluoro-3-methylanisole, 2-Fluoro-5-methoxytoluene

4-Fluoro-3-methylanisole, 97%AKOS015854357PS-90322-Fluoro-5-methoxytolueneEN300-97684AM614274-Fluoro-3-Methyl AnisoleSCHEMBL168299

データベース識別子

CAS: 2338-54-7
PubChem CID: 137546
DTXSID: DTXSID10177939
EC Number: 607-225-9
Nikkaji: J758.229C

物性

構造計算による物性

XLogP: 2
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: 1
重原子数: 10
形式電荷: 0
複雑度: 105

物理化学的性質

沸点: 174 · 174-175 °C/762 mmHg (lit.)
比重(密度): 1.07 g/mL · 1.07 g/mL at 25 °C (lit.)
屈折率: 20 · n20/D 1.492(lit.)
闪点: 145 °F · 145 °F
貯蔵温度: Sealed in dry,Room Temperature
比重: 1.07 · 1.070
BRN: 2080015 · 2080015
InChI: 1S/C8H9FO/c1-6-5-7(10-2)3-4-8(6)9/h3-5H,1-2H3
InChIKey: XZBXPBDJLUJLEU-UHFFFAOYSA-N
SMILES: COc1ccc(F)c(C)c1
CAS データベース: 2338 · 2338-54-7(CAS DataBase Reference)

化学的性質

化学的特性clear colorless 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 44 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

wgk: 3
hs_code: 29093090
risk_code: 36/37/38
消防法: 危-4-2-III
hazard_code: Xi
safety_code: 26-36/37/39
hazard_class: IRRITANT
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3
ストレージクラス: 10 - Combustible liquids

化学と産業

応用分野 · 2 件

用途有機合成原料。

一般的な説明Photolysis of the charge transfer complex of tetranitromethane and 4-fluoro-3-methylanisole in dichloromethane at -20°C yields the epimeric 1-fluoro-4-methoxy-6-methyl-6-nitro-3-trinitromethylcyclo-hexa-1,4-dienes, 1-fluoro-4-methoxy-2-methyl-r-5-nitro-c-6-trinitromethylcyclohexa-1,3-diene and 4-fluoro-5-methyl-2-trinitromethylanisole.