4-(トリフルオロメチル)スチレン

1-Ethenyl-4-(trifluoromethyl)benzene

HCID 2782798

ノート反応

部分構造検索類似構造を探す

基本情報

CAS: 402-50-6
標準SMILES: C=Cc1ccc(C(F)(F)F)cc1
InChIKey: CEWDRCQPGANDRS-UHFFFAOYSA-N
分子式: C9H7F3
平均分子量: 172.15 g/mol
単同位体質量: 172.04998471

名称と識別子

優先名称: 1-Ethenyl-4-(trifluoromethyl)benzene
IUPAC: 1-ethenyl-4-(trifluoromethyl)benzene
現地名: 4-(トリフルオロメチル)スチレン
英語名: 4-(Trifluoromethyl)styrene
分子式: C9H7F3
分子量: 172.15

名称と別名

1-ethenyl-4-(trifluoromethyl)benzeneRefChem:432180625-856-8402-50-64-(Trifluoromethyl)styrene1-(trifluoromethyl)-4-vinylbenzene4-Trifluoromethylstyrene4-VinylbenzotrifluorideMFCD00075539Benzene, 1-ethenyl-4-(trifluoromethyl)-4-trifluoromethyl-styrene4-(Trifluoromethyl)styrene (stabilized with TBC)

名称をさらに表示

4-(トリフルオロメチル)スチレン1-(トリフルオロメチル)-4-ビニルベンゼン4-(トリフルオロメチル)スチレン, 98%, STAB.4-トリフルオロメチルスチレン1-エテニル-4-(トリフルオロメチル)ベンゼン4-(トリフルオロメチル)-1-エテニルベンゼンp-(トリフルオロメチル)スチレン1-ビニル-4-(トリフルオロメチル)ベンゼン4-(トリフルオロメチル)-1-ビニルベンゼンDK773-4-vinylbenzene4-(Trifluoromethyl)styrene 98%4-(TrifluoroMethyl)styrene, 98%, stab.4-(Trifluoromethyl)styrene, stabilizedBenzenepropanoicacid,5-methyl-β-oxo-,ethylester

SCHEMBL476560SCHEMBL12113013DTXSID50382303F20941p-trifluoromethylstyrene1-(trifluoromethyl)-4-vinyl-benzene4-trifluoromethystyreneFT-0649110

データベース識別子

CAS: 402-50-6
PubChem CID: 2782798
DTXSID: DTXSID50382303
EC Number: 625-856-8
Nikkaji: J634.299J

物性

構造計算による物性

XLogP: 3.7
極性表面積: 0 Å²
水素結合供与体数: 0
水素結合受容体数: 3
回転可能結合数: 1
重原子数: 12
形式電荷: 0
複雑度: 152

物理化学的性質

沸点: 65 · 65-66 °C40 mm Hg(lit.)
比重(密度): 1.165 g/mL · 1.165 g/mL at 25 °C(lit.)
屈折率: 20 · n20/D 1.466(lit.)
闪点: 108 °F · 108 °F
貯蔵温度: 2 · 2-8°C
外見: 液体
色: 無色透明～淡黄色
水溶解度: 水に不溶。
BRN: 1863548 · 1863548
InChI: InChI=1S/C9H7F3/c1-2-7-3-5-8(6-4-7)9(10,11)12/h2-6H,1H2
InChIKey: CEWDRCQPGANDRS-UHFFFAOYSA-N
SMILES: C1(C=C)=CC=C(C(F)(F)F)C=C1

化学的性質

化学的特性Clear light yellow liquid

安全と法規制

GHS分類

GHS Classification · 5 件

Warning

H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]；H315 (95.3%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (95.3%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (95.3%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P271, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 43 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.