CAS No.678-26-2,Pentane,1,1,1,2,2,3,3,4,4,5,5,5-dodecafluoro- Suppliers

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Basic Information

Molecular Structure:
CAS No.:	678-26-2
Name:	Pentane,1,1,1,2,2,3,3,4,4,5,5,5-dodecafluoro-
Article Data:	40

Formula:	C₅F₁₂
Molecular Weight:	288.036
Synonyms:	Pentane,dodecafluoro- (6CI,7CI,8CI,9CI);Dodecafluoropentane;FC 87;Fluorinert FC 87;Fluorinert PF 5050;Flutec PP 50;PF 5050;PFC 41-12;Perflenapent;Perfluoro-n-pentane;Perfluoropentane;QW 7437;R 41(12);R-4112;
EINECS:	211-647-5
Density:	1.63 g/cm³
Melting Point:	-120 °C
Boiling Point:	29.3 °C at 760 mmHg
Flash Point:	29°C
Hazard Symbols:	F,Xi
Risk Codes:	36/37/38
Safety:	9-23
Transport Information:	2810
PSA:	0.00000
LogP:	4.01690

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Specification

The CAS register number of Pentane,1,1,1,2,2,3,3,4,4,5,5,5-dodecafluoro- is 678-26-2. It also can be called as Pentane,dodecafluoro- (6CI,7CI,8CI,9CI) and the systematic name about this chemical is dodecafluoropentane. The molecular formula about this chemical is C₅F₁₂ and the molecular weight is 288.03.

Physical properties about Pentane,1,1,1,2,2,3,3,4,4,5,5,5-dodecafluoro- are: (1)ACD/LogP: 4.76; (2)ACD/LogD (pH 5.5): 4.76; (3)ACD/LogD (pH 7.4): 4.76; (4)ACD/BCF (pH 5.5): 2458.01; (5)ACD/BCF (pH 7.4): 2458.01; (6)ACD/KOC (pH 5.5): 9301.99; (7)ACD/KOC (pH 7.4): 9301.99; (8)#Freely Rotating Bonds: 2; (9)Index of Refraction: 1.241; (10)Molar Refractivity: 27 cm³; (11)Molar Volume: 176.6 cm³; (12)Polarizability: 10.7x10^-24cm³; (13)Surface Tension: 10.8 dyne/cm; (14)Density: 1.63 g/cm³; (15)Enthalpy of Vaporization: 26.36 kJ/mol; (16)Boiling Point: 29.3 °C at 760 mmHg; (17)Vapour Pressure: 651 mmHg at 25 °C.

Preparation: this chemical can be prepared by 4-ethoxy-1,1,1,2,3,3-hexafluoro-pentane. This reaction will need reagent of CoF₃, CaF₂. The reaction temperature is 440 °C in nickel tube. The yield is about 10%.

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 store it, keep container in a well-ventilated place. When you are using it, do not breathe vapour.

You can still convert the following datas into molecular structure:
(1)SMILES: FC(F)(C(F)(F)C(F)(F)F)C(F)(F)C(F)(F)F
(2)InChI: InChI=1/C5F12/c6-1(7,2(8,9)4(12,13)14)3(10,11)5(15,16)17
(3)InChIKey: NJCBUSHGCBERSK-UHFFFAOYAH
(4)Std. InChI: InChI=1S/C5F12/c6-1(7,2(8,9)4(12,13)14)3(10,11)5(15,16)17
(5)Std. InChIKey: NJCBUSHGCBERSK-UHFFFAOYSA-N

The toxicity data are as follows:

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
mouse	LD50	intraperitoneal	200mg/kg (200mg/kg)		National Technical Information Service. Vol. AD277-689,
mouse	LD50	intravenous	100mg/kg (100mg/kg)		U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#04477,