Heptafluorobutyric anhydride

HCID 67643CAS 336-59-4
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기본 정보

표준 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
분자식
C8F14O3
평균 분자량
410.06 g/mol
단동위원소 질량
409.96238894

개요

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.

이름 및 식별자

우선 이름
Heptafluorobutyric anhydride
IUPAC
2,2,3,3,4,4,4-heptafluorobutanoyl 2,2,3,3,4,4,4-heptafluorobutanoate
영어명
Heptafluorobutyric anhydride
분자식
C8F14O3
분자량
410.06

이름 및 동의어

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
이름 더 보기
HFAAAKOS 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

데이터베이스 식별자

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

물성

구조 계산 물성

XLogP
4.8
극성 표면적
43.4 Ų
수소 결합 공여자 수
0
수소 결합 수용자 수
17
회전 가능 결합 수
6
무거운 원자 수
25

실험 및 물리화학적 성질

PFAS · 5건

PFAS -> non-polymer

PFAS -> Other/unspecified

PFAS -> OECD Category

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

PFAS -> Other/unspecified

SpringerMaterials PropertiesDiamagnetic susceptibility

물리화학적 성질

녹는점
43 °C · −43 °C(lit.)
끓는 점
108 · 108-110 °C(lit.)
밀도
1.674 g/mL · 1.674 g/mL at 20 °C(lit.)
굴절률
20 · n20/D 1.287(lit.)
인화점
None
저장 조건
room temp

화학적 성질

clear colorless liquid

안전 및 규제

GHS 분류

GHS Classification · 6건

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]

유해성 정보

Regulatory Information · 2건

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 · 2건

Skin Corr. 1B (100%)

Eye damage - category 1

안전 데이터

wgk
3
tsca
TSCA listed
ridadr
UN 3265 8/PG 2
HS 번호
29159080
risk_code
34
hazard_code
C

화학 및 산업

약리 정보

MeSH Pharmacological Classification · 1건

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)

용도 및 제조

Uses · 2건

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
응용 분야 · 2건

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

일반 설명Heptafluorobutyric 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.

상·하류 제품 정보

공급사50 곳

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]

추가 설명

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

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