2-フルオロ-3-(トリフルオロメチル)ベンゾニトリル

2-Fluoro-3-(trifluoromethyl)benzonitrile

HCID 518974CAS 146070-35-1

部分構造検索類似構造を探す

基本情報

標準SMILES: N#Cc1cccc(C(F)(F)F)c1F
InChIKey: NMWOWGXPPBIZNH-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-3-(trifluoromethyl)benzonitrile
IUPAC: 2-fluoro-3-(trifluoromethyl)benzonitrile
現地名: 2-フルオロ-3-(トリフルオロメチル)ベンゾニトリル
英語名: 2-Fluoro-3-(trifluoromethyl)benzonitrile
分子式: C8H3F4N
分子量: 189.11

名称と別名

2-Fluoro-3-(trifluoromethyl)benzonitrile146070-35-1DTXSID00333860.alpha.,.alpha.,.alpha.,2-Tetrafluoro-m-tolunitrilealpha,alpha,alpha,2-Tetrafluoro-m-tolunitrileRefChem:87051DTXCID10284950624-043-5NMWOWGXPPBIZNH-UHFFFAOYSA-N2-fluoro-3-trifluoromethylbenzonitrile3-Cyano-2-fluorobenzotrifluorideMFCD00061152

名称をさらに表示

2-フルオロ-3-(トリフルオロメチル)ベンゾニトリル3-シアノ-2-フルオロベンゾトリフルオリドα,α,α,2-tetrafluoro-m-tolunitrileà,à,à,2-tetrafluoro-m-tolunitrile2-Fluoro-3-(trifluoromethyl)benzonitrile97%2-Fluoro-3-(trifluoromethyl)benzonitrile 97%3-Cyano-2-fluorobenzotrifluoride~alpha,alpha,alpha,2-Tetrafluoro-m-tolunitrile

Benzonitrile, 2-fluoro-3-(trifluoromethyl)-PS-8424CS-01279612-Fluoro-3-(trifluoromethyl)benzonitrile, 98%2-fluoro-3-(trifluoromethyl)benzenecarbonitrileAMY2975BUTTPARK 45\01-75AS02761

データベース識別子

CAS: 146070-35-1
PubChem CID: 518974
DTXSID: DTXSID00333860
EC Number: 624-043-5
Nikkaji: J1.130.612H

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

融点: 66 · 66-69C
沸点: 194 C · 194C
比重(密度): 1.323 g/mL · 1.323 g/mL at 25 °C (lit.)
屈折率: 20 · n20/D 1.4495(lit.)
闪点: 186 °F · 186 °F
貯蔵温度: 2 · 2-8°C
外見: clear liquid
色: Colorless to Light yellow to Light orange
BRN: 8313146 · 8313146
InChI: 1S/C8H3F4N/c9-7-5(4-13)2-1-3-6(7)8(10,11)12/h1-3H
InChIKey: NMWOWGXPPBIZNH-UHFFFAOYSA-N
SMILES: Fc1c(cccc1C(F)(F)F)C#N
CAS データベース: 146070 · 146070-35-1(CAS DataBase Reference)

安全と法規制

GHS分類

GHS Classification · 4 件

Warning

H302 (97.8%): Harmful if swallowed [Warning Acute toxicity, oral]

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

Aggregated GHS information provided per 45 reports by companies from 5 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. 4 (97.8%)

安全データ

wgk: 3
ridadr: 3276
hs_code: 29269090
risk_code: 20/21/22-36/37/38
消防法: 危-4-3-III
hazard_code: Xn,T,Xi
hazard_note: Toxic
safety_code: 26-36/37/39-45-36
hazard_class: 6.1
packing_group: III
毒劇物取締法: 劇物
Hazard Classifications: Acute Tox. 4 DermalAcute Tox. 4 InhalationAcute Tox. 4 OralEye Irrit. 2Skin Irrit. 2STOT SE 3
ストレージクラス: 10 - Combustible liquids