CAS No.335-95-5,SODIUM PERFLUOROOCTANOATE Suppliers

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Basic Information

Molecular Structure:
CAS No.:	335-95-5
Name:	SODIUM PERFLUOROOCTANOATE
Article Data:	6

Formula:	C₈F₁₅NaO₂
Molecular Weight:	436.053
Synonyms:	Sodium perfluoro-n-octanoate 98%;Octanoicacid,pentadecafluoro-,sodiumsalt;Pentadecafluorooctanoicacid,sodiumsalt;pentadecafluoro-octanoicacisodiumsalt;Sodium perfluoro-n-octanoate;Sodium perfluorooctanoate;
EINECS:	206-404-5
Density:	1.745 g/cm3
Melting Point:	277-280 °C (dec.)
Boiling Point:	188 °C at 760 mmHg
Flash Point:	62.1 °C
Solubility:	Soluble in water.
Appearance:	white powder
Hazard Symbols:	Xi
Risk Codes:	36/37/38
Safety:	26-36/37/39
PSA:	40.13000
LogP:	3.11040

Synthetic route

: 335-67-1
Perfluorooctanoic acid

: 335-95-5
sodium perfluorooctanoate

Conditions

Conditions	Yield
With sodium carbonate In tetrahydrofuran at 66℃; for 10h;	95%
With sodium hydroxide Yield given;
With sodium hydroxide In water pH=6.91 - 10; Purification / work up;

: 423-55-2
1-perfluorooctyl bromide

A: 335-65-9
hydroperfluorooctane

B: 335-95-5
sodium perfluorooctanoate

Conditions

Conditions	Yield
With rongalite; sodium hydrogencarbonate In water; N,N-dimethyl-formamide at 85℃; for 20h;	A n/a B 86%

: 507-63-1
1-iodoheptadecafluorooctane

A: 335-65-9
hydroperfluorooctane

B: 335-95-5
sodium perfluorooctanoate

Conditions

Conditions	Yield
With rongalite; sodium hydrogencarbonate In water; N,N-dimethyl-formamide at 85℃; for 31h;	A n/a B 70%

: 34434-27-0
bis(pentadecafluoro-octanoyl) peroxide

: 24163-39-1
sodium 2-nitropropane

A: 335-95-5
sodium perfluorooctanoate

B: C10H6F15N2O3

C: C14F30NO

D: 67-64-1
acetone

Conditions

Conditions	Yield
In 1,1,2-Trichloro-1,2,2-trifluoroethane at 20℃;

...Expand

: 34434-27-0
bis(pentadecafluoro-octanoyl) peroxide

: 2-nitro-butane; sodium salt

A: 335-95-5
sodium perfluorooctanoate

B: C11H8F15N2O3

C: C14F30NO

D: 78-93-3
butanone

Conditions

Conditions	Yield
In 1,1,2-Trichloro-1,2,2-trifluoroethane at 20℃;

...Expand

: 34434-27-0
bis(pentadecafluoro-octanoyl) peroxide

: C5H8NO2(1-)*Na(1+)

A: 335-95-5
sodium perfluorooctanoate

B: 120-92-3
cyclopentanone

C: C12H8F15N2O3

D: C14F30NO

Conditions

Conditions	Yield
In 1,1,2-Trichloro-1,2,2-trifluoroethane at 20℃;

...Expand

: 34434-27-0
bis(pentadecafluoro-octanoyl) peroxide

: C6H10NO4(1-)*Na(1+)

A: 624-45-3
levulinic acid methyl ester

B: 335-95-5
sodium perfluorooctanoate

C: C13H10F15N2O5

D: C14F30NO

Conditions

Conditions	Yield
In 1,1,2-Trichloro-1,2,2-trifluoroethane at 20℃;

...Expand

: 34434-27-0
bis(pentadecafluoro-octanoyl) peroxide

A: 335-95-5
sodium perfluorooctanoate

B: C10H6F15N2O3

C: C14F30NO

Conditions

Conditions	Yield
With lithium 2-nitropropane In 1,1,2-Trichloro-1,2,2-trifluoroethane at 20℃;

...Expand

: 507-63-1
1-iodoheptadecafluorooctane

: 335-95-5
sodium perfluorooctanoate

Conditions

Conditions	Yield
Multi-step reaction with 3 steps 1: chlorosulfonic acid / 1.) 145 - 150 deg C, 20 h, 2.) reflux, 4 h 2: 10percent NaOH / 1.) rt, 2.) 40 deg C, 3 - 4 h 3: 2N NaOH View Scheme

: 376-27-2
methyl perfluorooctanoate

: 335-95-5
sodium perfluorooctanoate

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: 10percent NaOH / 1.) rt, 2.) 40 deg C, 3 - 4 h 2: 2N NaOH View Scheme

Total:28 Page 1 of 1 1

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Specification

The CAS register number of Octanoic acid,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluoro-, sodium salt (1:1) is 335-95-5. It also can be called as Pentadecafluorooctanoicacid,sodiumsalt and the systematic name about this chemical is sodium pentadecafluorooctanoate. The molecular formula about this chemical is C₈F₁₅NaO₂ and the molecular weight is 436.05.

Physical properties about Octanoic acid,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluoro-, sodium salt (1:1) are: (1)ACD/LogP: 7.75; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 4.02; (4)ACD/LogD (pH 7.4): 4; (5)ACD/BCF (pH 5.5): 84.3; (6)ACD/BCF (pH 7.4): 81.13; (7)ACD/KOC (pH 5.5): 72.3; (8)ACD/KOC (pH 7.4): 69.58; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 6; (12)Polar Surface Area: 37.3 Å²; (13)Flash Point: 62.1 °C; (14)Enthalpy of Vaporization: 46.77 kJ/mol; (15)Boiling Point: 188 °C at 760 mmHg; (16)Vapour Pressure: 0.274 mmHg at 25 °C.

When you are using this chemical, please be cautious about it as the following:
This chemical is irritating to eyes, respiratory system and skin. If you want to use this chemical, wear suitable protective clothing, gloves and eye/face protection. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1)SMILES: [Na+].FC(F)(C(F)(F)C([O-])=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
(2)InChI: InChI=1/C8HF15O2.Na/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);/q;+1/p-1
(3)InChIKey: LWHQXUODFPPQTL-REWHXWOFAW
(4)Std. InChI: InChI=1S/C8HF15O2.Na/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);/q;+1/p-1
(5)Std. InChIKey: LWHQXUODFPPQTL-UHFFFAOYSA-M