Pentafluoropyridine (HCID 69690)

概要

structure in first source

名称と識別子

優先名称: Pentafluoropyridine
IUPAC: 2,3,4,5,6-pentafluoropyridine
現地名: ペンタフルオロピリジン
英語名: Pentafluoropyridine
分子式: C5F5N
分子量: 169.05

名称と別名

Pentafluoropyridine700-16-3Perfluoropyridine2,3,4,5,6-PentafluoropyridineDTXSID70220258RefChem:171373DTXCID70142749211-839-9Pyridine, pentafluoro-MFCD00006225C5F5N2,3,4,5,6-Perfluoropyridine

名称をさらに表示

ペンタフルオロピリジンペルフルオロピリジン2,3,4,5,6-ペンタフルオロピリジンペンタフルオロピリジン, 99%Pentafluoropyridine>Pentafluoropyridine 99%5-Chloro-2-caynopyridinePENTAFLUOROPYRIDINE, 99+%Pentafluoropyridine, 99+% 5GRPyridine, 2,3,4,5,6-pentafluoro-

EINECS 211-839-9Pentafluoropyridine, >=99%SCHEMBL1886942,3,4,5,6-pentafluoro-pyridineSBB088228AKOS005063396CS-W0177314-methoxybenzoic acid 2-ethylbutyl ester

データベース識別子

CAS: 700-16-3
PubChem CID: 69690
DTXSID: DTXSID70220258
EC Number: 211-839-9
Nikkaji: J89B

物性

構造計算による物性

XLogP: 2
極性表面積: 12.9 Å²
水素結合供与体数: 0
水素結合受容体数: 6
回転可能結合数: 0
重原子数: 11
形式電荷: 0
複雑度: 129

実験および物理化学的性質

SpringerMaterials Properties15N nuclear magnetic resonance spectrum

物理化学的性質

融点: -42 · -42
沸点: 83 · 83-85 °C
比重(密度): 1.54 g/mL · 1.54 g/mL at 25 °C (lit.)
屈折率: 20 · n20/D 1.386(lit.)
闪点: 75 °F · 75 °F
貯蔵温度: 2 · Inert atmosphere,2-8°C
外見: 液体
酸解離定数(Pka): -12.08 · -12.08±0.28(Predicted)
色: 無色透明
比重: 1.62 · 1.62
水溶解度: 混和しないか、水に混ざりにくい。
BRN: 1427064 · 1427064
InChI: 1S/C5F5N/c6-1-2(7)4(9)11-5(10)3(1)8
InChIKey: XTGOWLIKIQLYRG-UHFFFAOYSA-N
SMILES: Fc1nc(F)c(F)c(F)c1F
CAS データベース: 700 · 700-16-3(CAS DataBase Reference)
NISTの化学物質情報: Pyridine, pentafluoro-(700-16-3)

化学的性質

化学的特性CLEAR COLOURLESS LIQUID

安全と法規制

GHS分類

GHS Classification · 4 件

Danger

H226 (98.1%): Flammable liquid and vapor [Warning Flammable liquids]

P210, P233, P240, P241, P242, P243, P260, P261, P264, P270, P271, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P303+P361+P353, P304+P340, P305+P354+P338, P316, P317, P321, P330, P362+P364, P363, P370+P378, P403+P235, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 52 reports by companies from 7 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. 3 (98.1%)

安全データ

wgk: 3
ridadr: UN 1993 3/PG 3
hs_code: 29333990
risk_code: 10-20/21/22-36/37/38
消防法: 危-4-2-III
hazard_code: Xn,F,Xi
hazard_note: Flammable/Irritant
safety_code: 26-28-24/25-16
hazard_class: 3
packing_group: III
Hazard Classifications: Acute Tox. 4 DermalAcute Tox. 4 InhalationAcute Tox. 4 OralFlam. Liq. 3
ストレージクラス: 3 - Flammable liquids

化学と産業

応用分野 · 3 件

用途有機合成原料。

使用Pentafluoropyridine was used in the preparation of η2-C,C coordinated pentafluoropyridine complex. It was also used in the preparation of polyfluorinated coupling products via Pd(0)-catalyzed cross-coupling reaction with diarylzinc compounds. It was also used as derivatizing reagent in the sensitive GC-MS method for determination of the four endocrine disrupting chemicals.

一般的な説明The reactions of pentafluoropyridine with cobalt(0) complex, Co(PMe3)4 was investigated.

調製方法 · 1 件

純化方法Distil it through a concentric tube column; it has in cyclohexane at 256.8nm. [Chambers et al. J Chem Soc 3573 1964, NMR: Bell et al. J Fluorine Chem 1 51 1971.] The hexafluoroantimonate has m 98-102o(dec) after crystallisation from liquid SO2. [Beilstein 20/5 V 401.]