Name: 1H,1H,2H,3H-NONAFLUOROHEPT-2-EN-1-OL
SKU: 72016-05-8

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Basic Information

Molecular Structure:
CAS No.:	72016-05-8
Name:	1H,1H,2H,3H-NONAFLUOROHEPT-2-EN-1-OL
Article Data:	3

Formula:	C₇H₅F₉O
Molecular Weight:	276.102
Synonyms:	3-(NONAFLUORO-N-BUTYL)PROP-2-ENOL;3-(PERFLUORO-N-BUTYL)PROP-2-ENOL;1H,1H,2H,3H-NONAFLUOROHEPT-2-EN-1-OL;1H,1H,2H,3H-PERFLUOROHEPT-2-EN-1-OL;3-Perfluorobutyl-2-propen-1-ol;3-(Nonafluoro-n-butyl)prop-2-enol 98%;3-(Nonafluoro-n-butyl)prop-2-enol98%
Density:	1.497 g/cm³
Boiling Point:	129.3 °C at 760 mmHg
Flash Point:	32 °C
Hazard Symbols:	Xi
Risk Codes:	36/37/38
Safety:	26-36
PSA:	20.23000
LogP:	3.00310

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Specification

This chemical is called 2-Hepten-1-ol,4,4,5,5,6,6,7,7,7-nonafluoro-, and it can also be named as 1H,1H,2H,3H-Nonafluorohept-2-en-1-ol. With the molecular formula of C₇H₅F₉O, its molecular weight is 276.10. The CAS registry number of this chemical is 72016-05-8.

Other characteristics of the 2-Hepten-1-ol,4,4,5,5,6,6,7,7,7-nonafluoro- can be summarised as followings: (1)ACD/LogP: 3.14; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.14; (4)ACD/LogD (pH 7.4): 3.14; (5)ACD/BCF (pH 5.5): 142.81; (6)ACD/BCF (pH 7.4): 142.81; (7)ACD/KOC (pH 5.5): 1213.36; (8)ACD/KOC (pH 7.4): 1213.36; (9)#H bond acceptors: 1; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 20.23 Å²; (13)Index of Refraction: 1.327; (14)Molar Refractivity: 37.4 cm³; (15)Molar Volume: 184.4 cm³; (16)Polarizability: 14.82×10^-24cm³; (17)Surface Tension: 18.1 dyne/cm; (18)Density: 1.497 g/cm³; (19)Flash Point: 32 °C; (20)Enthalpy of Vaporization: 42.77 kJ/mol; (21)Boiling Point: 129.3 °C at 760 mmHg; (22)Vapour Pressure: 4.6 mmHg at 25°C.

Production method of this chemical: The 2-Hepten-1-ol,4,4,5,5,6,6,7,7,7-nonafluoro- could be obtained by the reactants of prop-2-yn-1-ol and 1-bromo-1,1,2,2,3,3,4,4,4-nonafluoro-butane. This reaction needs the reagents of Zn, CuI, and the solvent of tetrahydrofuran. The yield is 51 %. The other condition is irradiation.

When you are using this chemical, please be cautious about it as the following: This chemical is irritating to eyes, respiratory system and skin. You should wear suitable protective clothing when you use it. In case of contacting with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
1.SMILES: FC(F)(C(F)(F)/C=C/CO)C(F)(F)C(F)(F)F
2.InChI: InChI=1/C7H5F9O/c8-4(9,2-1-3-17)5(10,11)6(12,13)7(14,15)16/h1-2,17H,3H2/b2-1+
3.InChIKey: PJZRJKWUZCHGGW-OWOJBTEDBT