2-フルオロ-5-トリフルオロメチルベンゾニトリル

2-Fluoro-5-(trifluoromethyl)benzonitrile

HCID 521016

ノート反応

部分構造検索類似構造を探す

基本情報

CAS: 4088-84-0
標準SMILES: N#Cc1cc(C(F)(F)F)ccc1F
InChIKey: LCLVMSCLLULGRY-UHFFFAOYSA-N
分子式: C8H3F4N
平均分子量: 189.11 g/mol
単同位体質量: 189.02016198

名称と識別子

優先名称: 2-Fluoro-5-(trifluoromethyl)benzonitrile
IUPAC: 2-fluoro-5-(trifluoromethyl)benzonitrile
現地名: 2-フルオロ-5-トリフルオロメチルベンゾニトリル
英語名: 2-Fluoro-5-(trifluoromethyl)benzonitrile
分子式: C8H3F4N
分子量: 189.11

名称と別名

2-Fluoro-5-(trifluoromethyl)benzonitrile4088-84-0DTXSID40334533RefChem:87092DTXCID50285623642-645-6LCLVMSCLLULGRY-UHFFFAOYSA-N2-fluoro-5-trifluoromethylbenzonitrile3-cyano-4-fluorobenzotrifluorideBenzonitrile, 2-fluoro-5-(trifluoromethyl)-MFCD00061280alpha,alpha,alpha,6-Tetrafluoro-m-tolunitrile

名称をさらに表示

2-フルオロ-5-トリフルオロメチルベンゾニトリル2-フルオロ-5-(トリフルオロメチル)ベンゾニトリル2-シアノ-1-フルオロ-4-(トリフルオロメチル)ベンゼン3-Cyano-4-fluorobenzà,à,à,6-tetrafluoro-m-tolunitrile2-Fluoro-5-(trifluoromethyl)benzonitrile>2-Fluoro-5-(trifluoromethyl)benzonitrile97%2-Cyano-1-fluoro-4-(trifluoromethyl)benzene2-Fluoro-5-(trifluoromethyl)benzonitrile 97%alpha,alpha,alpha-6-Tetrafluoro-m-tolunitrile

PS-8421SY0145472-fluoro-5-(trifluoromethyl)benzenecarbonitrileEN300-104085FT-0612348SCHEMBL283060SBB064081AKOS005255560

データベース識別子

CAS: 4088-84-0
PubChem CID: 521016
DTXSID: DTXSID40334533
EC Number: 642-645-6
Nikkaji: J3.600.731A

物性

構造計算による物性

XLogP: 2.6
極性表面積: 23.8 Å²
水素結合供与体数: 0
水素結合受容体数: 5
回転可能結合数: 0
重原子数: 13
形式電荷: 0
複雑度: 226

物理化学的性質

沸点: 185 · 185-187°C
比重(密度): 1.373 · 1.373
屈折率: 1.446 · 1.446
闪点: 185 · 185-187°C
貯蔵温度: Keep in dark place,Sealed in dry,Room Temperature
外見: clear liquid
色: Colorless to Almost colorless
比重: 1.37 · 1.37
BRN: 2616671 · 2616671
CAS データベース: 4088 · 4088-84-0(CAS DataBase Reference)

安全と法規制

GHS分類

GHS Classification · 4 件

Danger

H301+H311+H331 (16.7%): Toxic if swallowed, in contact with skin or if inhaled [Danger Acute toxicity, oral; acute toxicity, dermal; acute toxicity, inhalation]

P261, P262, P264, P264+P265, P270, P271, P280, P301+P316, P301+P317, P302+P352, P304+P340, P305+P351+P338, P316, P317, P319, P321, P330, P332+P317, P337+P317, P361+P364, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 12 reports by companies from 9 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 CategoriesAcute Tox. 3 (16.7%)

安全データ

ridadr: 3276
hs_code: 29269090
risk_code: 20/21/22-36/37/38-22
消防法: 危-4-3-III
hazard_code: T,Xi,Xn
hazard_note: Toxic
safety_code: 26-36/37/39-45-36-36/37-23-9
hazard_class: 6.1
packing_group: III
毒劇物取締法: 劇物

化学と産業

応用分野 · 2 件

用途有機合成原料。

使用2-Fluoro-5-(trifluoromethyl)benzonitrile is an important intermediate in organic synthesis and is used to synthesize a variety of complex organic compounds, including specific molecules in the fields of medicine, pesticides and materials science.