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1,4-Dibromoperfluorobutane

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1,4-Dibromoperfluorobutane

EINECS -0
CAS No. 335-48-8 Density 2.184 g/cm3
PSA 0.00000 LogP 4.23240
Solubility N/A Melting Point N/A
Formula C4Br2F8 Boiling Point 99.5 °C at 760 mmHg
Molecular Weight 359.839 Flash Point 14 °C
Transport Information N/A Appearance Clear, colorless to pale yellow liquid
Safety 26-36 Risk Codes 36/38
Molecular Structure Molecular Structure of 335-48-8 (1,4-DIBROMOOCTAFLUOROBUTANE) Hazard Symbols IrritantXi
Synonyms

Butane,1,4-dibromooctafluoro- (7CI,8CI);1,4-Dibromooctafluorobutane;Khladon 318B2;

Article Data 4

1,4-Dibromoperfluorobutane Specification

The 1,4-Dibromoperfluorobutane, with the cas registry number 335-48-8, has the systematic name of 1,4-dibromo-1,1,2,2,3,3,4,4-octafluorobutane. The molecular formula of the chemical is C4Br2F8.

The characteristics of this chemical are as followings: (1)ACD/LogP: 6.40; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 6.4; (4)ACD/LogD (pH 7.4): 6.4; (5)ACD/BCF (pH 5.5): 43106; (6)ACD/BCF (pH 7.4): 43106; (7)ACD/KOC (pH 5.5): 72274.48; (8)ACD/KOC (pH 7.4): 72274.48; (9)#H bond acceptors: 0; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 0 Å2; (13)Index of Refraction: 1.369; (14)Molar Refractivity: 37.21 cm3; (15)Molar Volume: 164.7 cm3; (16)Polarizability: 14.75×10-24cm3; (17)Surface Tension: 20.8 dyne/cm; (18)Density: 2.184 g/cm3; (19)Flash Point: 14 °C; (20)Enthalpy of Vaporization: 32.48 kJ/mol; (21)Boiling Point: 99.5 °C at 760 mmHg; (22)Vapour Pressure: 44 mmHg at 25°C.

You should be cautious while dealing with this chemical. It irritates to eyes and skin. Therefore, you had better take the following instructions: Wear suitable protective clothing, and if in case of contacting with eyes, rinse immediately with plenty of water and seek medical advice.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: FC(F)(C(F)(F)C(Br)(F)F)C(Br)(F)F
(2)InChI: InChI=1/C4Br2F8/c5-3(11,12)1(7,8)2(9,10)4(6,13)14
(3)InChIKey: RWWUGYJWSVESJC-UHFFFAOYAT

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