Perfluoropentanoic acid

HCID 75921CAS 2706-90-3
부분 구조 검색유사 구조 찾기

기본 정보

표준 SMILES
O=C(O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIKey
CXZGQIAOTKWCDB-UHFFFAOYSA-N
분자식
C5HF9O2
평균 분자량
264.05 g/mol
단동위원소 질량
263.98328325

개요

Perfluoropentanoic acid is a monocarboxylic acid that is perfluorinated pentanoic acid. It has a role as a xenobiotic and an environmental contaminant. It is functionally related to a valeric acid.

이름 및 식별자

우선 이름
Perfluoropentanoic acid
IUPAC
2,2,3,3,4,4,5,5,5-nonafluoropentanoic acid
영어명
Perfluoropentanoic acid
분자식
C5HF9O2
분자량
264.05

이름 및 동의어

Perfluoropentanoic acid2706-90-3Perfluorovaleric acidnonafluoropentanoic acid2,2,3,3,4,4,5,5,5-Nonafluoropentanoic acidValeric acid, nonafluoro-Nonafluoro-1-pentanoic acidDTXSID6062599LUW3UY784PNSC-18404Pentanoic acid, 2,2,3,3,4,4,5,5,5-nonafluoro-CHEBI:83491
이름 더 보기
Perfluoropentanoicacid,97%NSC 18404IPC-PFFA-5uoropentanoic acidRARECHEM AL BO 2315n-perfluoropentanoic
RefChem:860287PFPeA perfluoropentanoic acidDTXCID9037612220-300-7Nonafluorovaleric acidPentanoic acid, nonafluoro-n-Perfluoropentanoic acidPFPeA

데이터베이스 식별자

CAS
2706-90-3
PubChem CID
75921
DTXSID
DTXSID6062599
ChEMBL
CHEMBL173263
ChEBI
CHEBI:83491
UNII
LUW3UY784P
EC Number
220-300-7
Nikkaji
J192.213K

물성

구조 계산 물성

XLogP
2.9
극성 표면적
37.3 Ų
수소 결합 공여자 수
1
수소 결합 수용자 수
11
회전 가능 결합 수
3
무거운 원자 수
16

실험 및 물리화학적 성질

Chemical Classes · 2건

Ionic Liquids -> Fluorinated Ionic Liquids

Ionic Liquids

PFAS · 6건

PFAS -> Perfluorocarboxylic acids

PFAS -> Other/unspecified

PFAS

PFAS -> Perfluoroalkyl acids (PFAAs)

PFAS -> PFcarboxylic acids (PFCA)

PFAS (C5HF9O2)

Collision Cross Section · 2건

117.4 Ų [M-H-CO2]- [CCS Type: DT; Buffer gas: N2; Ionization: ESI-; Dataset: PFAS]

179.96 Ų [2M-H]-

물리화학적 성질

끓는 점
140 °C · 140 °C(lit.)
밀도
1.713 g/mL · 1.713 g/mL at 25 °C(lit.)
굴절률
20 · n20/D 1.294(lit.)
인화점
140 °C · 140°C
저장 조건
Inert atmosphere,Room Temperature
용해도
10 mg/mlDMSO: · DMF: 10 mg/mlDMSO: 10 mg/mlEthanol: 10 mg/mlPBS (pH 7.2): 1 mg/ml

화학적 성질

colourless liquid

안전 및 규제

GHS 분류

GHS Classification · 6건

Danger

H314 (98.1%): 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 4 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: Pentanoic acid, nonafluoro-

Hazard Traits - Hazard Trait Undefined

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

Skin Corr. 1C (98.1%)

Eye damage - category 1

안전 데이터

wgk
3
tsca
TSCA listed
ridadr
UN 3265 8/PG 2
HS 번호
29159000
risk_code
34
hazard_code
C

화학 및 산업

용도 및 제조

Uses · 2건

non-polymer PFAS -> Coatings, Paints and Varnishes -> Coatings in general

• Use in antireflective undercoat layer for lithography [Ref: CAS2019 (JP2000221689)]

Use Classification · 2건

PFAS (per- and polyfluoroalkyl substances) -> OECD Category

PFAS -> PFcarboxylic acids (PFCA)

General Manufacturing InformationPentanoic acid, 2,2,3,3,4,4,5,5,5-nonafluoro-: ACTIVE

응용 분야

용도Perfluoropentanoic acid is a short-chain perfluorocarboxylic acid (PFCA) generally used as an industrial surfactant and surface protector.

상·하류 제품 정보

공급사50 곳

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]
韶远科技(上海)有限公司021-50795510 4000665055 · [email protected]
艾吉析科技（上海）有限公司17717235263 · [email protected]
常州新氟化学有限公司13275212658 · [email protected]

추가 설명

정의ChEBI: Perfluoropentanoic acid is a monocarboxylic acid that is perfluorinated pentanoic acid. It has a role as an environmental contaminant and a xenobiotic. It is functionally related to a valeric acid.

관련 반응

5건
반응 기록 만들기

연결된 노트

불러오는 중…