2,3,4-トリフルオロベンゾニトリル

2,3,4-Trifluorobenzonitrile

HCID 518936

ノート反応

部分構造検索類似構造を探す

基本情報

CAS: 143879-80-5
標準SMILES: N#Cc1ccc(F)c(F)c1F
InChIKey: KTPHYLJFAZNALV-UHFFFAOYSA-N
分子式: C7H2F3N
平均分子量: 157.09 g/mol
単同位体質量: 157.01393372

概要

structure in first source

名称と識別子

優先名称: 2,3,4-Trifluorobenzonitrile
IUPAC: 2,3,4-trifluorobenzonitrile
現地名: 2,3,4-トリフルオロベンゾニトリル
英語名: 2,3,4-Trifluorobenzonitrile
分子式: C7H2F3N
分子量: 157.09

名称と別名

2,3,4-Trifluorobenzonitrile143879-80-5DTXSID30333853RefChem:81314DTXCID40284943642-465-8BENZONITRILE, 2,3,4-TRIFLUORO-MFCD000132882,3,4-trifluorobenzenecarbonitrileBenzonitrile, trifluoro-trifluorobenzonitrileSCHEMBL365967

名称をさらに表示

2,3,4-トリフルオロベンゾニトリル２·３·４トリフルオロベンゾニトリル2,3,4-carbonitrile3-flurobenzoyl chloride2,3,4-Trifluorobenzonitrile98%2,3,4-Trifluorobenzonitrile 98%Benzonitrile, 2,3,4-trifluoro- (9CI)2,3,4-Trifluorobenzonitrile 143879-80-5

2,3,4-trifluoro benzonitrile2,3,4-Trifluoro-benzonitrileSCHEMBL5517176SCHEMBL5517180CK1060SBB063629AKOS006222082Benzonitrile, 2,?3,?4-?trifluoro-

データベース識別子

CAS: 143879-80-5
PubChem CID: 518936
DTXSID: DTXSID30333853
EC Number: 642-465-8
Nikkaji: J766.611J

物性

構造計算による物性

XLogP: 1.9
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: 4
回転可能結合数: 0
重原子数: 11
形式電荷: 0
複雑度: 185

物理化学的性質

融点: 95 · 95-99C
沸点: 116 · 116-118 °C100 mm Hg(lit.)
比重(密度): 1.12 g/mL · 1.12 g/mL at 25 °C(lit.)
屈折率: 20 · n20/D 1.4725(lit.)
闪点: 155 °F · 155 °F
貯蔵温度: 2 · 2-8°C
外見: clear liquid
色: Colorless to Almost colorless
比重: 1.12 · 1.12
BRN: 5427682 · 5427682
InChIKey: KTPHYLJFAZNALV-UHFFFAOYSA-N
CAS データベース: 143879 · 143879-80-5(CAS DataBase Reference)

化学的性質

化学的特性clear slightly yellow to light brown liquid

安全と法規制

GHS分類

GHS Classification · 4 件

Danger

H227 (12.5%): Combustible liquid [Warning Flammable liquids]

P210, P260, P261, P262, P264, P264+P265, P270, P271, P280, P284, P301+P316, P301+P317, P302+P352, P304+P340, P305+P351+P338, P316, P317, P319, P320, P321, P330, P332+P317, P337+P317, P361+P364, P362+P364, P370+P378, P403, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 8 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 CategoriesFlam. Liq. 4 (12.5%)

安全データ

wgk: 3
ridadr: 3276
hs_code: 29269090
risk_code: 36/37/38-20/21/22
消防法: 危-4-2-III
hazard_code: Xn,T,Xi
hazard_note: Toxic
safety_code: 36/37/39-26-36-36/37-9
hazard_class: 6.1
packing_group: III
毒劇物取締法: 劇物

化学と産業

応用分野

使用2,3,4-Trifluorobenzonitrile and Benzonitrile(BN) derivatives are of chemical, pharmaceutical and spectroscopic importance and a number of BN derivatives have important applications. [1]