ペンタフルオロベンゾイルクロリド

Pentafluorobenzoyl chloride

HCID 75256CAS 2251-50-5
部分構造検索類似構造を探す

基本情報

標準SMILES
O=C(Cl)c1c(F)c(F)c(F)c(F)c1F
InChIKey
MYHOHFDYWMPGJY-UHFFFAOYSA-N
分子式
C7ClF5O
平均分子量
230.52 g/mol
単同位体質量
229.9557834

概要

Pentafluorobenzoyl chloride is the acid chloride of pentafluorobenzoic acid. It is a sensitive derivatising reagent for the analysis of amines, amides and phenols by electron capture gas chromatography. It has a role as a chromatographic reagent. It is a perfluorinated compound and an acyl chloride. It is functionally related to a pentafluorobenzoic acid.

名称と識別子

優先名称
Pentafluorobenzoyl chloride
IUPAC
2,3,4,5,6-pentafluorobenzoyl chloride
現地名
ペンタフルオロベンゾイルクロリド
英語名
Pentafluorobenzoyl chloride
分子式
C7ClF5O
分子量
230.52

名称と別名

Pentafluorobenzoyl chloride2251-50-52,3,4,5,6-Pentafluorobenzoyl chloride4RXU8P4SDSNSC-97002CHEBI:39425DTXSID90177033RefChem:171363DTXCID0099524218-842-4pentafluorobenzoylchloridePerfluorobenzoyl chloride
名称をさらに表示
ペンタフルオロベンゾイルクロリドペルフルオロベンゾイルクロリドペンタフルオロ安息香酸クロリド2,3,4,5,6-ペンタフルオロベンゾイルクロリド2,3,4,5,6-ペンタフルオロ安息香酸クロリド2,3,4,5,6-ペンタフルオロベンジルクロライド塩化ペンタフルオロベンゾイルペンタフルオロベンゾイル クロリドSKL1300Pentafluorobenzoyl cpentaflurobenzyl cyanidePentafluorobenzoylchloride99%PentafluorobenzoylChloride>
Benzoyl chloride, pentafluoro-C7ClF5OMFCD00000657pentafluorobenzoychlorideNSC97002EINECS 218-842-4NSC 97002UNII-4RXU8P4SDS

データベース識別子

CAS
2251-50-5
PubChem CID
75256
DTXSID
DTXSID90177033
ChEBI
CHEBI:39425
UNII
4RXU8P4SDS
EC Number
218-842-4
Nikkaji
J106.089I

物性

構造計算による物性

XLogP
2.9
極性表面積
17.1 Ų
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
1
重原子数
14

実験および物理化学的性質

SpringerMaterials PropertiesNuclear quadrupole resonance spectroscopy

物理化学的性質

沸点
158 · 158-159 °C(lit.)
比重(密度)
1.601 g/mL · 1.601 g/mL at 25 °C(lit.)
屈折率
20 · n20/D 1.453(lit.)
闪点
None
貯蔵温度
30 °C · Store below +30°C.
溶解性
soluble in Chloroform

化学的性質

化学的特性clear colorless to light yellow liquid

安全と法規制

GHS分類

GHS Classification · 4 件

Danger

H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]

P260, P264, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P363, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 61 reports by companies from 6 notifications to the ECHA C&L Inventory.

危険有害性情報

Hazard Classes and CategoriesSkin Corr. 1B (100%)

安全データ

F
10-19-21
wgk
3
ridadr
UN 3265 8/PG 2
hs_code
29163900
risk_code
14-34
消防法
危-4-3-III

化学と産業

応用分野 · 2 件

説明Pentafluorobenzoyl chloride is the acid chloride of pentafluorobenzoic acid. It is a sensitive derivatising reagent for the analysis of amines, amides and phenols by electron capture gas chromatography. It has a role as a chromatographic reagent. It is an acyl chloride and a perfluorinated compound. It derives from a pentafluorobenzoic acid.2,3,4,5,6-Pentafluorobenzoyl chloride was used for derivatization of 5-androstenediol, testosterone, estradiol , dihydrotestosterone and estrone in a study to determine their serum levels. 2,3,4,5,6-Pentafluorobenzoyl chloride was used to derivatize dimethylamine(DMA) in study to develop a rapid and accurate GC–MS method for determination of DMA in human urine. 2,3,4,5,6-Pentafluorobenzoyl chloride was used in a study to detect the presence of Enterobacter cloacae in cultures of Leuconostoc mesenteroide by gas chromatography/mass spectrometry.

使用Pentafluorobenzoyl Chloride is a useful analytical reagent in the derivatization amphetamines as well as other primary amines.

上流・下流製品情報

サプライヤー50 社

国药集团化学试剂有限公司86-21-63210123 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
山东旭晨化工科技有限公司0533-15715337262 15715337262 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
南通润丰石油化工有限公司66017690 19952660367 · [email protected]

補足説明

定義ChEBI: The acid chloride of pentafluorobenzoic acid. It is a sensitive derivatising reagent for the analysis of amines, amides and phenols by electron capture gas chromatography.

関連反応

23 件
反応記録を作成

関連ノート

読み込み中…