기본 정보
- CAS
330562-41-9- 표준 SMILES
O=C(O)C(F)(F)OC(F)(F)C(F)(F)OC(F)(F)C(F)(F)OC(F)(F)C(F)(F)C(F)(F)C(F)(F)F- InChIKey
GDQLSTSWOFAQNO-UHFFFAOYSA-N- 분자식
- C10HF19O5
- 평균 분자량
- 562.08 g/mol
- 단동위원소 질량
- 561.9520582
이름 및 식별자
- 우선 이름
- Perfluoro-3,6,9-trioxatridecanoic acid
- IUPAC
- 2,2-difluoro-2-[1,1,2,2-tetrafluoro-2-[1,1,2,2-tetrafluoro-2-(1,1,2,2,3,3,4,4,4-nonafluorobutoxy)ethoxy]ethoxy]acetic acid
- 현지명
- 과불화-3,6,9-트리옥사트리데칸산
- 영어명
- Perfluoro-3,6,9-trioxatridecanoic acid
- 분자식
- C10HF19O5
- 분자량
- 562.08
이름 및 동의어
Perfluoro-3,6,9-trioxatridecanoic acid330562-41-92,2-difluoro-2-[1,1,2,2-tetrafluoro-2-[1,1,2,2-tetrafluoro-2-(1,1,2,2,3,3,4,4,4-nonafluorobutoxy)ethoxy]ethoxy]acetic acidDTXSID503751142,2-difluoro-2-(1,1,2,2-tetrafluoro-2-(1,1,2,2-tetrafluoro-2-(1,1,2,2,3,3,4,4,4-nonafluorobutoxy)ethoxy)ethoxy)acetic acidRefChem:171640DTXCID70326143671-216-62,2-difluoro-2-(1,1,2,2-tetrafluoro-2-(1,1,2,2-tetrafluoro-2-(perfluorobutoxy)ethoxy)ethoxy)acetic acidMFCD03094135Acetic acid,difluoro[1,1,2,2-tetrafluoro-2-[1,1,2,2-tetrafluoro-2-(nonafluorobutoxy)ethoxy]ethoxy]-Difluoro{1,1,2,2-tetrafluoro-2-[1,1,2,2-tetrafluoro-2-(nonafluorobutoxy)ethoxy]ethoxy}acetic acid
이름 더 보기
과불화-3,6,9-트리옥사트리데칸산Perfluoro-3,6,9-trioxatridecanoicacid98%Perfluoro-3,6,9-trioxatridecanoic acid 98%Perfluoro-3,6,9-trioxatridecanoic acid 98%Difluoro{1,1,2,2-tetrafluoro-2-[1,1,2,2-tetrafluoro-2-(1,1,2,2,3,3,4,4,4-nonafluorobutoxy)ethoxy]ethoxy}acetic acidAcetic acid, 2,2-difluoro-2-[1,1,2,2-tetrafluoro-2-[1,1,2,2-tetrafluoro-2-(1,1,2,2,3,3,4,4,4-nonafluorobutoxy)ethoxy]ethoxy]-Difluoro{1,1,2,2-tetrafluoro-2-[1,1,2,2-tetrafluoro-2-(nonafluorobutoxy)ethoxy]ethoxy}acetic acid, 2,2-Difluoro-2-{1,1,2,2-tetrafluoro-2-[1,1,2,2-tetrafluoro-2-(nonafluorobutoxy)etho
Perfluoro-3,6,9-trioxatridecanoicacidPFO3TrDA (dimer)A1BYPAcetic acid,2,2-difluoro-2-[1,1,2,2-tetrafluoro-2-[1,1,2,2-tetrafluoro-2-(1,1,2,2,3,3,4,4,4-nonafluorobutoxy)ethoxy]ethoxy]-SCHEMBL915267C10HF19O5AKOS015852874FP84485
데이터베이스 식별자
- CAS
330562-41-9- PubChem CID
- 2760333
- DTXSID
DTXSID50375114- EC Number
- 671-216-6
- Nikkaji
- J3.416.496G
물성
구조 계산 물성
- XLogP
- 6.4
- 극성 표면적
- 65 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 24
- 회전 가능 결합 수
- 11
- 무거운 원자 수
- 34
- 형식 전하
- 0
- 복잡도
- 755
실험 및 물리화학적 성질
PFAS
PFAS -> Perfluoroethercarboxylic acids
PFAS -> Other/unspecified
PFAS -> Other/unspecified
PFAS -> OECD Category
Collision Cross Section257.4 Ų [M-H]- [CCS Type: DT; Buffer gas: N2; Ionization: ESI-; Dataset: PFAS]
물리화학적 성질
- 끓는 점
- 292.7 · 292.7±40.0 °C(Predicted)
- 밀도
- 1.805 · 1.805±0.06 g/cm3(Predicted)
- 저장 조건
- 2 · Storage temp. 2-8°C
- 물리적 상태
- 액체
- 산도 계수 (pKa)
- 0.21 · 0.21±0.10(Predicted)
- 색상
- 투명한
- InChI
- InChI=1S/C17H13N4S.ClH/c1-3-8-14(9-4-1)20-18-17(16-12-7-13-22-16)19-21(20)15-10-5-2-6-11-15;/h1-13H;1H/q+1;/p-1
- InChIKey
- GDQLSTSWOFAQNO-UHFFFAOYSA-N
- SMILES
- FC(F)(F)C(F)(F)C(F)(F)C(F)(F)OC(F)(F)C(F)(F)OC(F)(F)C(F)(F)OC(F)(F)C(=O)O
- EPA
- -3 · Perfluoro-3,6,9-trioxatridecanoic acid (330562-41-9)
화학적 성질
Clear colourless liquid
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
Danger
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P260, P261, P264, P270, P271, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P330, P362+P364, P363, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
유해성 정보
Hazard Classes and CategoriesAcute Tox. 4 (100%)
안전 데이터
- wgk
- WGK 3
- ridadr
- 3265
- HS 번호
- 29159000
- risk_code
- 34
- hazard_code
- C
- safety_code
- 26-36/37/39
- 위험 등급
- CORROSIVE
- 스토리지 클래스
- 10 - Combustible liquids
화학 및 산업
용도 및 제조
Use ClassificationPFAS (per- and polyfluoroalkyl substances) -> OECD Category
응용 분야
용도Perfluoro-3,6,9-trioxatridecanoic Acid can be used as treatment fluids containing a perfluorinated chelating agent.
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