Pentafluoroaniline (HCID 13040)

概要

structure given in first source

名称と識別子

優先名称: Pentafluoroaniline
IUPAC: 2,3,4,5,6-pentafluoroaniline
現地名: ペンタフルオロアニリン
英語名: 2,3,4,5,6-Pentafluoroaniline
分子式: C6H2F5N
分子量: 183.08

名称と別名

2,3,4,5,6-PENTAFLUOROANILINE771-60-8PentafluoroanilinePentafluorophenylamineAminopentafluorobenzeneAniline, 2,3,4,5,6-pentafluoro-MS06IL3Y2QNSC-88320DTXSID8022119RefChem:441630DTXCID302119PFPAT pentafluorophenylammonium triflate

名称をさらに表示

ペンタフルオロアニリンペンタフルオロフェニルアミンペンタフルオロベンゼンアミン2,3,4,5,6-ペンタフルオロアニリン2,3,4,5,6-ペンタフルオロベンゼンアミン2，3，4，5，6ペンタフルオロアニリン2,3,4,5,6‐ペンタフルオロアニリンペンタフルオロアニリン, 99%PerfluoroanilinePENTAFLUORANILINE2,3,4,5,6-PentafluorPentafluorobenzenaminPentafluoroaniline>PentafluorophenylaminePentafluoroaniline 99%Pentafluoroaniline,99%pentafluronitrobenzene

212-234-22,3,4,5,6-pentafluorophenylammonium triflateBenzenamine, 2,3,4,5,6-pentafluoro-2,3,4,5,6-PentafluorobenzenamineMFCD000076432,3,4,5,6-pentafluorophenylamine1-Amino-2,3,4,5,6-pentafluorobenzene(pentafluorophenyl)amine

データベース識別子

CAS: 771-60-8
PubChem CID: 13040
DTXSID: DTXSID8022119
UNII: MS06IL3Y2Q
EC Number: 212-234-2
Nikkaji: J1.734E

物性

構造計算による物性

XLogP: 1.7
極性表面積: 26 Å²
水素結合供与体数: 1
水素結合受容体数: 6
回転可能結合数: 0
重原子数: 12
形式電荷: 0
複雑度: 150

実験および物理化学的性質

SpringerMaterials PropertiesFusion temperature

物理化学的性質

融点: 33 · 33-35 °C (lit.)
沸点: 153 °C · 153 °C (lit.)
比重(密度): 1 · 1,744 g/cm3
闪点: 165 °F · 165 °F
貯蔵温度: 2 · Keep in dark place,Inert atmosphere,2-8°C
溶解性: トルエン：可溶
外見: 結晶性低融点固体
酸解離定数(Pka): -0.16 · -0.16±0.10(Predicted)
色: 白からサーモン
水溶解度: トルエン、有機溶剤に可溶。水に不溶。
BRN: 1819387 · 1819387
InChI: 1S/C6H2F5N/c7-1-2(8)4(10)6(12)5(11)3(1)9/h12H2
InChIKey: NOXLGCOSAFGMDV-UHFFFAOYSA-N
SMILES: Nc1c(F)c(F)c(F)c(F)c1F
CAS データベース: 771 · 771-60-8(CAS DataBase Reference)
NISTの化学物質情報: 2 · Benzenamine, 2,3,4,5,6-pentafluoro-(771-60-8)
EPAの化学物質情報: 2 · Benzenamine, 2,3,4,5,6-pentafluoro- (771-60-8)

化学的性質

化学的特性white to salmon crystalline low melting solid

安全と法規制

GHS分類

GHS Classification · 4 件

Warning

H302 (12%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, 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 50 reports by companies from 10 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 (12%)

安全データ

wgk: 3
tsca: TSCA listed
rtecs: BY7920000
毒性: LD50 ipr-rat: 390 mg/kg IZSBAI 3,91,65
hs_code: 29214210
risk_code: 36/37/38-22
hazard_code: Xi,Xn
safety_code: 26-36-36/37/39
hazard_class: IRRITANT
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2
ストレージクラス: 11 - Combustible Solids

化学と産業

用途と製造

General Manufacturing InformationBenzenamine, 2,3,4,5,6-pentafluoro-: INACTIVE

応用分野 · 3 件

用途有機合成用原料。

使用2,3,4,5,6-Pentafluoroaniline finds it uses in the preparation of pentafluorophenylammonium triflate, an efficient catalyst for esterification and thioesterification. It is also used in the synthesis of various titanium complexes having two anionic [N, O-] bidentate salicylaldiminato ligands.

一般的な説明2,3,4,5,6-Pentafluoroaniline forms metal-drug complexes, cis-Pt-(2,3,4,5,6-pentafluoroaniline)2-Br2 which has been tested against the promastigote forms of Leishmania donovani.