CAS 919005-14-4 ADONA (HCID 52915299)

기본 정보

CAS: 919005-14-4
표준 SMILES: O=C(O)C(F)(F)C(F)OC(F)(F)C(F)(F)C(F)(F)OC(F)(F)F
InChIKey: AFDRCEOKCOUICI-UHFFFAOYSA-N
분자식: CF3OCF2CF2CF2OCFHCF2COOH
평균 분자량: 378.07 g/mol
단동위원소 질량: 377.9761465

이름 및 식별자

우선 이름: ADONA
IUPAC: 2,2,3-trifluoro-3-[1,1,2,2,3,3-hexafluoro-3-(trifluoromethoxy)propoxy]propanoic acid
영어명: 2,2,3-trifluoro-3-[1,1,2,2,3,3-hexafluoro-3-(trifluoromethoxy)propoxy]propanoic acid
분자식: C7H2F12O4
분자량: 378.07

이름 및 동의어

RefChem:80841Adona919005-14-44,8-Dioxa-3H-perfluorononanoic acid2,2,3-trifluoro-3-[1,1,2,2,3,3-hexafluoro-3-(trifluoromethoxy)propoxy]propanoic acid2,2,3-Trifluoro-3-(1,1,2,2,3,3-hexafluoro-3-(trifluoromethoxy)propoxy)propanoic acidDTXSID40881350SODIUM DODECAFLUORO-3H-4,8-DIOXANONANOATE2J86RN9BGDorb2814346SCHEMBL1681505C7H2F12O4

이름 더 보기

Perfluorooctane Sulphonate Impurity 564，8-Dioxa-3H-perfluorononanoic acid（ADONA）3H-Perfluoro-4,8-dioxanonanoic acid 50 μg/mL in Methanol:WaterPropanoic acid, 2,2,3-trifluoro-3-[1,1,2,2,3,3-hexafluoro-3-(trifluoromethoxy)propoxy]-2,2,3-Trifluoro-3-[1,1,2,2,3,3-hexafluoro-3-(trifluoromethoxy)propoxy]propanoic Acid (>90%)

MSK153943H-Perfluoro-4,8-dioxanonanoic acidFT177428HOOC-CF2-CHF-O-(CF2)3-O-CF3PD166863NS000113744,8-Dioxa-3H-perfluorononanoic acid (ADONA)T203380

데이터베이스 식별자

CAS: 919005-14-4
PubChem CID: 52915299
DTXSID: DTXSID40881350
UNII: 2J86RN9BGD
EC Number: 700-835-7
Nikkaji: J3.761.192A

물성

구조 계산 물성

XLogP: 4.1
극성 표면적: 55.8 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 16
회전 가능 결합 수: 7
무거운 원자 수: 23
형식 전하: 0
복잡도: 443

실험 및 물리화학적 성질

PFAS · 6건

PFAS -> Perfluoroethercarboxylic acids

PFAS -> PFalkylether carboxylic acids (PFECA)

PFAS -> PFAS with analytical method available

PFAS

PFAS -> PFAS identified in REACH Regulation EC No. 1272/2008

PFAS -> Other/unspecified

Collision Cross Section139.6 Å² [M-H-CO2]- [CCS Type: DT; Buffer gas: N2; Ionization: ESI-; Dataset: PFAS]

물리화학적 성질

끓는 점: 228.4 · 228.4±40.0 °C(Predicted)
밀도: 1.738 · 1.738±0.06 g/cm3(Predicted)
증기압: 32 Pa · 32Pa at 20℃
저장 조건: Hygroscopic, Refrigerator, under inert atmosphere
용해도: 클로로포름(약간 용해됨), DMSO(약간 용해됨), 메탄올(약간 용해됨, 가열)
산도 계수 (pKa): 0.57 · 0.57±0.10(Predicted)
물리적 상태: 기름
색상: 무색
수용성: 100 vol%[vol%] · 100vol%[vol%]
안정성: 흡습성
EPA: 4 · 4,8-Dioxa-3H-perfluorononanoic acid (919005-14-4)

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

H290 (100%): May be corrosive to metals [Warning Corrosive to Metals]

P234, P260, P264, P264+P265, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P363, P390, P405, P406, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 2 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Regulatory InformationREACH registered substance: 2,2,3-trifluoro-3-[1,1,2,2,3,3-hexafluoro-3-(trifluoromethoxy)propoxy]propanoic acid (EC: 700-835-7)

Hazard Classes and CategoriesMet. Corr. 1 (100%)

안전 데이터

신호 어: Danger
유해·위험 문구: 암호 유해·위험 문구 위험 등급 범주 신호 어 그림 문자 P- 코드 H290

화학 및 산업

약리 정보

MeSH Pharmacological Classification · 1건

Agents acting to arrest the flow of blood. Absorbable hemostatics arrest bleeding either by the formation of an artificial clot or by providing a mechanical matrix that facilitates clotting when applied directly to the bleeding surface. These agents function more at the capillary level and are not effective at stemming arterial or venous bleeding under any significant intravascular pressure.

용도 및 제조

Uses• Processing aid [Ref: CAS2019 (US20070015864)]

Use Classification · 2건

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

PFAS -> PFalkylether carboxylic acids (PFECA)

응용 분야

용도2,2,3-Trifluoro-3-[1,1,2,2,3,3-hexafluoro-3-(trifluoromethoxy)propoxy]propanoic Acid is a pollutant in river and drinking water near fluorochemical production plants.