HCID23677867

Potassium heptafluorobutanoate

potassium 2,2,3,3,4,4,4-heptafluorobutanoate

C4F7KO2252.13 g/molCAS 2966-54-3

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IDENTITY

结构与身份

标准SMILES: O=C([O-])C(F)(F)C(F)(F)C(F)(F)F.[K+]
InChIKey: UDYXGZXUMUTLSW-UHFFFAOYSA-M
分子式: C4F7KO2
平均分子量: 252.13 g/mol
单同位素质量: 251.94235786

COMPUTED

结构计算性质

已同步

极性表面积: 40.1 Å²
氢键供体: 0
氢键受体: 9
可旋转键: 2
重原子: 14
形式电荷: 0
复杂度: 222

TOXICITY

毒理信息

来源：PubChem

RAIS Toxicity Values

0.002

IRIS Current

0.007

IRIS Current

USGS Health-Based Screening Levels for Evaluating Water-Quality

Heptafluorobutanoate, potassium

PFAS

Potassium salt of a perfluorobutanoic acid (PFBA). The HBSL is derived from the RfD for PFBA, after adjusting for their relative molecular weights.

Smith, C.D. and Nowell, L.H., 2024. Health-Based Screening Levels for evaluating water-quality data (3rd ed.). DOI:10.5066/F71C1TWP

Hazard Quotient Level 0.1 or Cancer Risk Level 1E-06

1.60e+02

2.30e+03

3.80e+01

4.00e-03

1.30e-02

2.00e-03

Hazard Quotient Level 3 or Cancer Risk Level 1E-04

4.70e+02

7.00e+03

1.10e+02

4.00e-03

2.00e-03

Volatile

USES

用途与制造

来源：PubChem

Uses

non-polymer PFAS -> Mining -> Ore floatation

Use Classification

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

ALIASES

名称与别名

共 13 条

2966-54-3Potassium heptafluorobutanoateDTXSID20896624RefChem:1096537DTXCID001326116potassium heptafluorobutyrateMFCD16620583potassium;2,2,3,3,4,4,4-heptafluorobutanoatepotassium perfluorobutyrateC4F7KO2SCHEMBL6269201AKOS016016176NS00109784

REACTIONS

参与反应

2 条

uspto-grants-1997_07 · 10.6084/m9.figshare.5104873.v1 · US05646308

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uspto-grants-2001_06 · 10.6084/m9.figshare.5104873.v1 · US06248777B1

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