ヘプタフルオロ酪酸無水物

Heptafluorobutyric anhydride

HCID 67643CAS 336-59-4
部分構造検索類似構造を探す

基本情報

標準SMILES
O=C(OC(=O)C(F)(F)C(F)(F)C(F)(F)F)C(F)(F)C(F)(F)C(F)(F)F
InChIKey
UFFSXJKVKBQEHC-UHFFFAOYSA-N
分子式
C8F14O3
平均分子量
410.06 g/mol
単同位体質量
409.96238894

概要

Heptafluorobutyric anhydride is an acyclic carboxylic anhydride that is perfluorinated butyric anhydride. It is used as a derivatising reagent for gas chromatographic analyses. It has a role as a chromatographic reagent. It is an acyclic carboxylic anhydride and an organofluorine compound. It is functionally related to a butyric acid.

名称と識別子

優先名称
Heptafluorobutyric anhydride
IUPAC
2,2,3,3,4,4,4-heptafluorobutanoyl 2,2,3,3,4,4,4-heptafluorobutanoate
現地名
ヘプタフルオロ酪酸無水物
英語名
Heptafluorobutyric anhydride
分子式
C8F14O3
分子量
410.06

名称と別名

Heptafluorobutyric anhydride336-59-4Heptafluorobutanoic anhydridePerfluorobutanoic anhydrideButanoic acid, heptafluoro-, anhydrideH5L67KPX9ZCHEBI:39424Butanoic acid, 2,2,3,3,4,4,4-heptafluoro-, 1,1'-anhydrideDTXSID10861881RefChem:145634DTXCID30810735206-410-8
名称をさらに表示
ヘプタフルオロ酪酸無水物1,1,1,2,2,3,3,7,7,8,8,9,9,9-テトラデカフルオロ-5-オキサノナン-4,6-ジオン二(ヘプタフルオロブタン酸)無水物ビス(ヘプタフルオロ酪酸)無水物二(ヘプタフルオロ酪酸)無水物ビス(ヘプタフルオロブタン酸)無水物ビス(2,2,3,3,4,4,4-ヘプタフルオロブタン酸)無水物ペルフルオロ酪酸無水物無水ヘプタフルオロ酪酸無水ヘプタフルオロ-N-酪酸無水ヘプタフルオロ‐N‐酪酸パーフルオロ酪酸無水物ヘプタフルオロ酪酸無水物, 98%Bis(heptafluoro-n-butyric) anhydrideHFAAAKOS B020344uorobutyric anhydrideHeptafluorotic anhydridePERFLUORO-N-BUTYRIC ANHYDRIDE
Perfluorobutyric anhydride2,2,3,3,4,4,4-heptafluorobutanoic anhydride2,2,3,3,4,4,4-heptafluorobutanoyl 2,2,3,3,4,4,4-heptafluorobutanoateMFCD00000432C8F14O3Heptafluorobutyric anhydride, for GC derivatization, >=99.0%EINECS 206-410-8UNII-H5L67KPX9Z

データベース識別子

CAS
336-59-4
PubChem CID
67643
DTXSID
DTXSID10861881
ChEBI
CHEBI:39424
UNII
H5L67KPX9Z
EC Number
206-410-8
Nikkaji
J193.783I

物性

構造計算による物性

XLogP
4.8
極性表面積
43.4 Ų
水素結合供与体数
0
水素結合受容体数
17
回転可能結合数
6
重原子数
25

実験および物理化学的性質

PFAS · 5 件

PFAS -> non-polymer

PFAS -> Other/unspecified

PFAS -> OECD Category

PFAS -> Perfluoroalkane carbonyl fluoride (PACF)-based substances

PFAS -> Other/unspecified

SpringerMaterials PropertiesDiamagnetic susceptibility

物理化学的性質

融点
43 °C · −43 °C(lit.)
沸点
108 · 108-110 °C(lit.)
比重(密度)
1.674 g/mL · 1.674 g/mL at 20 °C(lit.)
屈折率
20 · n20/D 1.287(lit.)
闪点
None
貯蔵温度
room temp

化学的性質

化学的特性clear colorless liquid

安全と法規制

GHS分類

GHS Classification · 6 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 52 reports by companies from 5 notifications to the ECHA C&L Inventory.

Danger

H318: Causes serious eye damage [Danger Serious eye damage/eye irritation]

危険有害性情報

Regulatory Information · 2 件

Chemical: Butanoic acid, heptafluoro-, anhydride

Bis(heptafluorobutyric) anhydride: Does not have an individual approval but may be used under an appropriate group standard

Other Safety InformationIMAP assessments - Short chain perfluorocarboxylic acids and their direct precursors: Human health tier II assessment
Hazard Classes and Categories · 2 件

Skin Corr. 1B (100%)

Eye damage - category 1

安全データ

F
10-21
wgk
3
tsca
TSCA listed
ridadr
UN 3265 8/PG 2
hs_code
29159080
risk_code
34

化学と産業

薬理情報

MeSH Pharmacological Classification · 1 件

Substances used for the detection, identification, analysis, etc. of chemical, biological, or pathologic processes or conditions. Indicators are substances that change in physical appearance, e.g., color, at or approaching the endpoint of a chemical titration, e.g., on the passage between acidity and alkalinity. Reagents are substances used for the detection or determination of another substance by chemical or microscopical means, especially analysis. Types of reagents are precipitants, solvents, oxidizers, reducers, fluxes, and colorimetric reagents. (From Grant & Hackh's Chemical Dictionary, 5th ed, p301, p499)

用途と製造

Uses · 2 件

non-polymer PFAS -> Laboratory Supplies -> Consumable materials

• Laboratory chemicals [Ref: http://www.spin2000.net/spinmyphp/]

Use ClassificationPFAS (per- and polyfluoroalkyl substances) -> OECD Category
General Manufacturing InformationButanoic acid, 2,2,3,3,4,4,4-heptafluoro-, 1,1'-anhydride: ACTIVE
応用分野 · 3 件

用途農薬等のECD-GC分析前処理剤。

使用As a GC derivatizing agent, Heptafluorobutyric anhydride is used to prepare volatile derivatives of amino acids and other biologically active compounds.

一般的な説明Heptafluorobutyric anhydride is a perfluoroacylated acylation reagent, that forms stable, volatile derivatives with alcohols, amines, and phenols. It is majorly used to prepare electron-capturing derivatives for GC/electron capture detection. It is generally used with an acid scavenger, to help drive the reaction to completion and to prevent column damage from acidic by-products of the derivatization reaction. It is also used for the frequent testing of drugs of abuse such as, amphetamines and phencyclidine by GC-MS technique.

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]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
INTATRADE GmbH+49 3493/605464 · [email protected]
T&W GROUP021-61551611 13296011611 · [email protected]

補足説明

定義ChEBI: An acyclic carboxylic anhydride that is perfluorinated butyric anhydride. It is used as a derivatising reagent for gas chromatographic analyses.

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