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Nonane,1-bromo-1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-nonadecafluoro-

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Name

Nonane,1-bromo-1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-nonadecafluoro-

EINECS -0
CAS No. 558-96-3 Density 1.865 g/cm3
PSA 0.00000 LogP 6.98350
Solubility Insoluble in water. Melting Point 27 °C
Formula C9BrF19 Boiling Point 164.8 °C at 760 mmHg
Molecular Weight 548.973 Flash Point 53.5 °C
Transport Information N/A Appearance White powder
Safety 26-37/39 Risk Codes 36/37/38
Molecular Structure Molecular Structure of 558-96-3 (1-BROMOPERFLUORONONANE) Hazard Symbols IrritantXi
Synonyms

Nonane,1-bromononadecafluoro- (8CI);Perfluorononyl bromide;1-Bromoperfluorononane;Nonadecafluorononyl Bromide;AC1MCQU3;1-Bromononadecafluorononane;MolPort-000-152-268;PC6133;CID2776260;N0808;

 

Nonane,1-bromo-1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-nonadecafluoro- Specification

The Nonane,1-bromo-1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-nonadecafluoro-, with the CAS registry number 558-96-3, is also known as 1-Bromoperfluorononane. This chemical's molecular formula is C9BrF19 and molecular weight is 548.97. What's more, its systematic name is 1-Bromo-1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-nonadecafluorononane. The product should be sealed and stored in containers with dry inert gas which are placed in cool, ventilated and dry places. It should be protected from moisture and strong oxidizers.

Physical properties of Nonane,1-bromo-1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-nonadecafluoro- are: (1)ACD/LogP: 9.51; (2)# of Rule of 5 Violations: 2; (3)ACD/LogD (pH 5.5): 9.51; (4)ACD/LogD (pH 7.4): 9.51; (5)ACD/BCF (pH 5.5): 1000000; (6)ACD/BCF (pH 7.4): 1000000; (7)ACD/KOC (pH 5.5): 3558474; (8)ACD/KOC (pH 7.4): 3558474; (9)#H bond acceptors: 0; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 7; (12)Index of Refraction: 1.295; (13)Molar Refractivity: 54.27 cm3; (14)Molar Volume: 294.2 cm3; (15)Polarizability: 21.51×10-24 cm3; (16)Surface Tension: 14.9 dyne/cm; (17)Density: 1.865 g/cm3; (18)Flash Point: 53.5 °C; (19)Enthalpy of Vaporization: 38.48 kJ/mol; (20)Boiling Point: 164.8 °C at 760 mmHg; (21)Vapour Pressure: 2.53 mmHg at 25°C.

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

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(C(C(C(C(F)(F)Br)(F)F)(F)F)(F)F)(F)F
(2)InChI: InChI=1S/C9BrF19/c10-8(25,26)6(21,22)4(17,18)2(13,14)1(11,12)3(15,16)5(19,20)7(23,24)9(27,28)29
(3)InChIKey: OWIAIPIQXHPUHV-UHFFFAOYSA-N

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