Basic information
- Name:
Nonane,1-bromo-1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-nonadecafluoro-
- CAS No.:
558-96-3
- Molecular Structure:
- Formula:
- C9BrF19
- Molecular Weight:
- 548.97
- Synonyms:
- Nonane,1-bromononadecafluoro- (8CI);Perfluorononyl bromide;1-Bromoperfluorononane;Nonadecafluorononyl Bromide;AC1MCQU3;1-Bromononadecafluorononane;MolPort-000-152-268;PC6133;CID2776260;N0808;
- Density:
- 1.865 g/cm3
- Melting Point:
- 27 °C
- Boiling Point:
- 164.8 °C at 760 mmHg
- Flash Point:
- 53.5 °C
- Appearance:
- White powder
- Hazard Symbols:
Xi- Risk Codes:
- 36/37/38
- Safety Description:
- 26-37/39 Details
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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