2,4,5-トリフルオロアニリン

2,4,5-Trifluoroaniline

HCID 94953CAS 367-34-0

部分構造検索類似構造を探す

基本情報

標準SMILES: Nc1cc(F)c(F)cc1F
InChIKey: QMYVWJVVVMIBMM-UHFFFAOYSA-N
分子式: C6H4F3N
平均分子量: 147.1 g/mol
単同位体質量: 147.02958379

名称と識別子

優先名称: 2,4,5-Trifluoroaniline
IUPAC: 2,4,5-trifluoroaniline
現地名: 2,4,5-トリフルオロアニリン
英語名: 2,4,5-Trifluoroaniline
分子式: C6H4F3N
分子量: 147.1

名称と別名

2,4,5-Trifluoroaniline367-34-0Benzenamine, 2,4,5-trifluoro-EINECS 206-692-2QMYVWJVVVMIBMM-UHFFFAOYSA-AI3-52252DTXSID50190147NSC 10289RefChem:82024DTXCID60112638206-692-2InChI=1/C6H4F3N/c7-3-1-5(9)6(10)2-4(3)8/h1-2H,10H2

名称をさらに表示

2,4,5-トリフルオロアニリン2，4，5トリフルオロアニリン2,4,5‐トリフルオロアニリン2,4,5-Trifluoroanili2,4,5-tifluoroaniline2,4,5-trifluoroaniune2,4,5-Trifluoroaniline99%2,4,5-Trifluoroaniline,98%2,4,5-Trifluoroaniline 99%2,4,5-Trifluorobenzaniline

QMYVWJVVVMIBMM-UHFFFAOYSA-N2,4,5-trifluorophenylamine2,4,5-trifluorobenzenamineMFCD0000764984X2Y688WR2,4,5-trifloro anilineNSC-10289SCHEMBL11695

データベース識別子

CAS: 367-34-0
PubChem CID: 94953
DTXSID: DTXSID50190147
UNII: 84X2Y688WR
EC Number: 206-692-2
Nikkaji: J193.878I

物性

構造計算による物性

XLogP: 1.5
極性表面積: 26 Å²
水素結合供与体数: 1
水素結合受容体数: 4
回転可能結合数: 0
重原子数: 10
形式電荷: 0
複雑度: 120

物理化学的性質

融点: 59 · 59-63 °C(lit.)
沸点: 100.5 °C · 100.5°C (rough estimate)
比重(密度): 1.351 · 1.3510 (estimate)
貯蔵温度: Keep in dark place,Sealed in dry,Room Temperature
酸解離定数(Pka): 2.25 · 2.25±0.10(Predicted)
外見: 結晶性粉末
色: ベージュ
BRN: 2085734 · 2085734
InChI: InChI=1S/C6H4F3N/c7-3-1-5(9)6(10)2-4(3)8/h1-2H,10H2
InChIKey: QMYVWJVVVMIBMM-UHFFFAOYSA-N
SMILES: C1(N)=CC(F)=C(F)C=C1F
CAS データベース: 367 · 367-34-0(CAS DataBase Reference)

化学的性質

化学的特性beige crystalline powder

安全と法規制

GHS分類

GHS Classification · 4 件

Warning

H302 (100%): 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 46 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 (100%)

安全データ

wgk: 3
ridadr: 2941
hs_code: 29214200
risk_code: 20/21/22-36/37/38-41-38-21/22
hazard_code: Xn,Xi,T
hazard_note: Irritant
safety_code: 26-36-36/37/39
hazard_class: 6.1
packing_group: III

化学と産業

応用分野 · 2 件

用途有機合成原料。

使用2,4, 5-trifluoroaniline is a fluorinating reagent, mainly used as a raw material or intermediate in organic synthesis. It can react with acids to prepare 2,4, 5-trifluorophenacetic acid. It can also be used in the synthesis of agricultural chemicals, pharmaceuticals, dyes and special chemicals.