Bis(heptadecafluorooctyl)phosphinic acid
기본 정보
- CAS
40143-79-1- 표준 SMILES
O=P(O)(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F- InChIKey
BELPOXSOCHBAEX-UHFFFAOYSA-N- 분자식
- (C8F17)2P(=O)OH
- 평균 분자량
- 902.1 g/mol
- 단동위원소 질량
- 901.9171238
이름 및 식별자
- 우선 이름
- Bis(heptadecafluorooctyl)phosphinic acid
- IUPAC
- bis(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctyl)phosphinic acid
- 영어명
- Bis(heptadecafluorooctyl)phosphinic Acid
- 분자식
- C16HF34O2P
- 분자량
- 902.1
이름 및 동의어
Bis(heptadecafluorooctyl)phosphinic acid40143-79-1DTXSID80543001RefChem:329852DTXCID10493787BIS(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-HEPTADECAFLUOROOCTYL)PHOSPHINIC ACIDPhosphinic acid, P,P-bis(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctyl)- (ACI); P,P-Bis(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctyl)phosphinic acid (ACI); P,P-Bis(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctyl)phosphinic Acid; Phosphinic acid, bis(heptadecafluorooctyl)- (9CI); Bis(perfluorooctyl)phosphinic acidC8/C8 PFPiA8:8 PhiA8:8 PFPi8:8 Perfluorophosphinic acidC16HF34O2P
이름 더 보기
Phosphinic acid, P,P-bis(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctyl)-
SCHEMBL6656608BELPOXSOCHBAEX-UHFFFAOYSA-NBis(perfluorooctyl)phosphinic acidNS00011286
데이터베이스 식별자
- CAS
40143-79-1- PubChem CID
- 13528039
- DTXSID
DTXSID80543001- Nikkaji
- J1.411.295B
물성
구조 계산 물성
- XLogP
- 10.7
- 극성 표면적
- 37.3 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 36
- 회전 가능 결합 수
- 14
- 무거운 원자 수
- 53
- 형식 전하
- 0
- 복잡도
- 1,310
실험 및 물리화학적 성질
PFAS
PFAS -> Perfluoroalkylphosphates/phosphinates/phosphate esters
PFAS -> non-polymer
PFAS -> PFalkyl phosphinates (PFPiA)
PFAS -> Perfluoroalkyl acids (PFAAs)
PFAS -> Other/unspecified
PFAS -> Other/unspecified
Collision Cross Section234.0 Ų [M-H]- [CCS Type: DT; Buffer gas: N2; Ionization: ESI-; Dataset: PFAS]
물리화학적 성질
- 녹는점
- 203 °C · >203°C (dec.)
- 끓는 점
- 353.3 · 353.3±42.0 °C(Predicted)
- 밀도
- 1.803 · 1.803±0.06 g/cm3(Predicted)
- 저장 조건
- -20 °C · -20°C Freezer
- 용해도
- DMSO(약간 용해됨), 메탄올(약간 용해됨)
- 물리적 상태
- 고체
- 산도 계수 (pKa)
- 0.29 · 0.29±0.50(Predicted)
- 색상
- 흰색에서 황백색까지
화학 및 산업
용도 및 제조
Uses
non-polymer PFAS -> Optical Devices -> Other optical devices
• Carpet and upholstery cleaners, cleaning products (tile, tub and bowl) [Ref: https://doi.org/10.1016/j.envint.2016.01.023]
Use Classification
PFAS -> PFalkyl phosphinates (PFPiA)
PFAS (per- and polyfluoroalkyl substances) -> OECD Category
관련 반응
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