CAS 395-48-2 1-Methoxy-2-(trifluoromethyl)benzene (HCID 2775251)

基本情報

CAS: 395-48-2
標準SMILES: COc1ccccc1C(F)(F)F
InChIKey: BHPJMWUXVOTGQU-UHFFFAOYSA-N
分子式: C8H7F3O
平均分子量: 176.14 g/mol

名称と識別子

優先名称: 1-Methoxy-2-(trifluoromethyl)benzene
IUPAC: 1-methoxy-2-(trifluoromethyl)benzene
現地名: 2-(トリフルオロメチル)アニソール
英語名: 2-(Trifluoromethyl)anisole
分子式: C8H7F3O
分子量: 176.14

名称と別名

1-methoxy-2-(trifluoromethyl)benzene2-(Trifluoromethyl)anisole395-48-22-methoxybenzotrifluorideMFCD00142938trifluoromethylanisole2-trifluoromethylanisoleBenzene, 1-methoxy-2-(trifluoromethyl)-2-trifluoromethyl anisoleSCHEMBL162258SCHEMBL255270SCHEMBL330035

名称をさらに表示

2-(トリフルオロメチル)アニソール2-Methoxy-α,α,α-trifluorobenzeneBenzene,1-Methoxy-2-(trifluoroMethyl)-

SCHEMBL513847SCHEMBL1067980SCHEMBL1071313SCHEMBL30093322QWAMWTWEVCYDEL-UHFFFAOYSA-N2-(Trifluoromethyl)anisole_x000D_SBB0891262-methoxy-1-(trifluoromethyl)benzene

データベース識別子

CAS: 395-48-2
PubChem CID: 2775251
EC Number: 642-547-3
Nikkaji: J2.928.795C

物性

構造計算による物性

XLogP: 2.8
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: 4
回転可能結合数: 1
重原子数: 12
形式電荷: 0
複雑度: 144

物理化学的性質

融点: -14.3 · -14.3--14.1 °C
沸点: 173.7 °C · 173.7 °C(Press: 754 Torr)
比重(密度): 1.198 · 1.198±0.06 g/cm3(Predicted)
貯蔵温度: Sealed in dry,Room Temperature
外見: liquid
色: Clear, colourless

安全と法規制

GHS分類

GHS Classification · 4 件

Warning

H315 (50%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P272, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P333+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.