基本情報
- 標準SMILES
O=C([O-])C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.[NH4+]- InChIKey
YOALFLHFSFEMLP-UHFFFAOYSA-N- 分子式
- C8HF15O2.H3N
- 平均分子量
- 431.1 g/mol
- 単同位体質量
- 431.00025167
名称と識別子
- 優先名称
- Ammonium perfluorooctanoate
- IUPAC
- azanium 2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluorooctanoate
名称と別名
Ammonium perfluorooctanoate3825-26-1Ammonium pentadecafluorooctanoateAmmonium perfluorocaprylateFluorad FC 143Ammonium perfluorocaprilatePerfluoroammonium octanoateOctanoic acid, pentadecafluoro-, ammonium saltFC-143DTXSID8037708Perfluorooctanoic acid, ammonium saltE904OF18PS
名称をさらに表示
DTXCID6017708CXR-1002NSC-35120Octanoic acid, 2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluoro-, ammonium salt (1:1)APFORefChem:112194DTXSID601344239223-320-4
データベース識別子
- CAS
3825-26-1- PubChem CID
- 2776282
- DTXSID
DTXSID8037708- UNII
- E904OF18PS
- EC Number
- 223-320-4
物性
構造計算による物性
- 極性表面積
- 41.1 Ų
- 水素結合供与体数
- 1
- 水素結合受容体数
- 17
- 回転可能結合数
- 5
- 重原子数
- 26
- 形式電荷
- 0
- 複雑度
- 525
実験および物理化学的性質
Chemical ClassesOther Classes -> Perfluoroalkyl Acids
PFAS
PFAS -> Intentionally added food contact chemicals
PFAS -> Other/unspecified
PFAS -> Perfluoroalkyl acids (PFAAs)
PFAS -> Other/unspecified
Endocrine DisruptorsPotential endocrine disrupting compound
Vapor Pressure0.00007 [mmHg]
Physical DescriptionWhite powder; [ACGIH]
安全と法規制
GHS分類
GHS Classification
Danger
H302: Harmful if swallowed [Warning Acute toxicity, oral]
P203, P260, P261, P263, P264, P264+P265, P270, P271, P280, P301+P317, P304+P340, P305+P354+P338, P317, P318, P319, P330, P405, and P501 (click each P-code to see the statement)
Danger
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P203, P260, P261, P263, P264, P264+P265, P270, P271, P280, P301+P317, P304+P340, P305+P351+P338, P305+P354+P338, P316, P317, P318, P319, P321, P330, P337+P317, P403+P233, P405, and P501 (click each P-code to see the statement)
危険有害性情報
Regulatory Information
Chemical: Octanoic acid, pentadecafluoro-, ammonium salt
Hazard Traits - Bioaccumulation; Environmental Persistence; Reproductive Toxicity
Regulation (EC) No 1935/2004 (amended)
S - indicates a substance that is identified in a final Significant New Use Rule.
Substance: Ammonium pentadecafluorooctanoate (APFO)
Substance: Ammonium pentadecafluorooctanoate
Other Safety InformationIMAP assessments - Perfluorooctanoic acid (PFOA) and its direct precursors: Environment tier II assessment
Hazards Summary
Acute pulmonary edema is observed in animals exposed to lethal concentrations. [ChemIDplus] Confirmed animal carcinogen; Increased blood organofluoride levels in rats receiving repeated doses percutaneously; Workers found to have higher organofluoride levels that controls in plant with air concentrations of 0.032-7.6 mg/m3; Causes liver damage in subchronic animal studies; [ACGIH] See Perfluorooctanoic acid. See Perfluorooctane sulfonic acid.
Hazard Classes and Categories
Acute Tox. 4 (100%)
Acute toxicity - category 3
Acute toxicity (Oral) - Category 4
Reproductive toxicity - Category 1A, Additional category: Effects on or via lactation
Carcinogenicity - Category 2
Carc. 2
安全と保護具
Threshold Limit Values (TLV)0.01 [mg/m3]
毒性情報
Adverse EffectsOccupational hepatotoxin - Secondary hepatotoxins: the potential for toxic effect in the occupational setting is based on cases of poisoning by human ingestion or animal experimentation.
Toxicity DataLC50 (rat) = 980 mg/m3/4H
RAIS Toxicity Values
3e-08
DWSHA
3e-08
DWSHA
29300
DWSHA
Hazard Quotient Level 0.1 or Cancer Risk Level 1E-06
1.9e-05
7.8e-05
2.7e-06
1.00e+00
4e-08
2.93e+04
Hazard Quotient Level 3 or Cancer Risk Level 1E-04
1.90e-03
7.80e-03
2.70e-04
1.00e+00
2.93e+04
3e-08
化学と産業
薬理情報
Biological Half-LifeOrganofluoride compounds: 1-2 years; [ACGIH]
用途と製造
Uses
Used to polymerize fluorinated monomers; [ACGIH]
• PFA processing aid [Ref: https://doi.org/10.1016/j.envint.2013.08.021]
General Manufacturing InformationOctanoic acid, 2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluoro-, ammonium salt (1:1): ACTIVE
関連反応
4 件
関連ノート
読み込み中…