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3825-26-1

Basic Information
CAS No.: 3825-26-1
Name: PERFLUOROOCTANOIC ACID AMMONIUM SALT
Article Data: 1
Molecular Structure:
Molecular Structure of 3825-26-1 (PERFLUOROOCTANOIC ACID AMMONIUM SALT)
Formula: C8H F15 O2 . H3 N
Molecular Weight: 431.101
Synonyms: Octanoicacid, pentadecafluoro-, ammonium salt (8CI,9CI);Ammonium pentadecafluorooctanoate;Ammonium perfluorocaprylate;Ammonium perfluorooctanoate;DS 101;FC 1015;FC143;FX 1006;Fluorad FC 143;Perfluorooctanoic acid ammonium salt;Unidyne DS101;
EINECS: 223-320-4
Density: 1.745g/cm3
Melting Point: 163-165(dec.)
Boiling Point: 188°Cat760mmHg
Flash Point: 62.1°C
Hazard Symbols: Toxic by inhalation and skin contact. TLV: 0.01 mg/m3.
Risk Codes: R22;R36/38;
Safety: Confirmed carcinogen. Poison by inhalation. Moderately toxic by ingestion. An eye and skin irritant. Experimental reproductive effects. When heated to decomposition it emits toxic fumes of F and NH3.
PSA: 40.54000
LogP: 4.76900
Synthetic route
3825-26-1

ammonium perfluorooctanoate

[MnCl(C4H8)(CHNCH(C6H3(O)(C6H3(C8F17)2)))2]

[Mn(OC(O)C7F15)(C4H8)(CHNCH(C6H3(O)(C6H3(C8F17)2)))2]

Conditions
ConditionsYield
In diethyl ether complex (0.07 mmol) dissolved in ethanol/trifluorotoluene (1/1 (v/v)), C7F15COONH4 (0.5 mmol) added, stirred at room temp. for 4 h, evapd.; dissolved (n-perfluorooctane), washed (water), dried (MgSO4, vac.), elem. anal.;68%
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Chemistry

Molecular Formula: C8H4F15NO2
Molar mass: 431.1 g/mol
EINECS: 223-320-4
Flash Point: 62.1 °C
Boiling Point: 188 °C at 760 mmHg
Vapour Pressure: 0.274 mmHg at 25°C
Melting point: 163-165(dec.)
Solubility: H2O: 0.1 g/mL, clear, colorless
Product categories of Ammonium perfluorooctanoate (3825-26-1): Fluorochemical Surfactants;Organics;Functional Materials
Structure of Ammonium perfluorooctanoate (3825-26-1):

H-Bond Donor: 2
H-Bond Acceptor: 18
Systematic Name: Ammonia; 2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluorooctanoic acid 
SMILES: FC(F)(C(F)(F)C(=O)O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.N 
InChI: InChI=1/C8HF15O2.H3N/c9-2(10,1(24)25)3(11,12)4(13,14)5(15,16)6(17,18)7(19,20)8(21,22)23;/h(H,24,25);1H3 
InChIKey: YOALFLHFSFEMLP-UHFFFAOYAF 
Std. InChI: InChI=1S/C8HF15O2.H3N/c9-2(10,1(24)25)3(11,12)4(13,14)5(15,16)6(17,18)7(19,20)8(21,22)23;/h(H,24,25);1H3 
Std. InChIKey: YOALFLHFSFEMLP-UHFFFAOYSA-N

Toxicity Data With Reference

1.    

skn-rbt 500 mg MOD

    TXAPA9    Toxicology and Applied Pharmacology. 81 (1985),348.
2.    

eye-rbt 500 mg/24 H MOD

    AIHAAP    American Industrial Hygiene Association Journal. 41 (1980),576.
3.    

orl-rat LD50:430 mg/kg

    AIHAAP    American Industrial Hygiene Association Journal. 41 (1980),576.
4.    

ihl-rat LC50:980 mg/m3/4 H

    FCTOD7    Food and Chemical Toxicology. 24 (1986),1325.
5.    

skn-rat LD50:7 g/kg

    TXAPA9    Toxicology and Applied Pharmacology. 81 (1985),348.
6.    

skn-rbt LD50:4300 mg/kg

    TXAPA9    Toxicology and Applied Pharmacology. 81 (1985),348.

Consensus Reports

Reported in EPA TSCA Inventory.

Safety Profile

Confirmed carcinogen. Poison by inhalation. Moderately toxic by ingestion. An eye and skin irritant. Experimental reproductive effects. When heated to decomposition it emits toxic fumes of F and NH3.
 

Hazard Codes: Xn,Xi
Risk Statements:
20:  Harmful by inhalation
22:  Harmful if swallowed 
36:  Irritating to the eyes
38:  Irritating to the skin
Safety Statements:
26:  In case of contact with eyes, rinse immediately with plenty of water and seek medical advice
36:  Wear suitable protective clothing

Standards and Recommendations

ACGIH TLV: 0.01 mg/m3; Animal Carcinogen

Specification

 Ammonium perfluorooctanoate (3825-26-1) also can be called Perfluoroammonium octanoate ; Fluorad FC 143 ; Ammonium pentadecafluorooctanoate and Ammonium perfluorocaprylate .