Name: 3-(PERFLUOROBUTYL)PROPANOL
SKU: 83310-97-8

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Basic Information

Molecular Structure:
CAS No.:	83310-97-8
Name:	3-(PERFLUOROBUTYL)PROPANOL

Formula:	C₇H₇F₉O
Molecular Weight:	278.118
Synonyms:	3-(Perfluorobutyl)propanol;4,4,5,5,6,6,7,7,7-Nonafluoroheptan-1-ol;4,4,5,5,6,6,7,7,7-Nonafluoro-1-heptanol;
Density:	1.457 g/cm³
Melting Point:	-60--55℃
Boiling Point:	119.6 °C at 760 mmHg
Flash Point:	26.1 °C
Hazard Symbols:	Xi
Risk Codes:	36/37/38
Safety:	26-36
PSA:	20.23000
LogP:	3.22710

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Specification

The 1-Heptanol,4,4,5,5,6,6,7,7,7-nonafluoro-, with the CAS registry number 83310-97-8, is also known as 4,4,5,5,6,6,7,7,7-Nonafluoro-1-heptanol. This chemical's molecular formula is C₇H₇F₉O and molecular weight is 278.12. What's more, its systematic name is 4,4,5,5,6,6,7,7,7-nonafluoroheptan-1-ol. It should be sealed and stored in a cool and dry place. What's more, it should be ensured that the workshop is well ventilated or equipped with exhaust devices.

Physical properties of 1-Heptanol,4,4,5,5,6,6,7,7,7-nonafluoro- are: (1)ACD/LogP: 2.38; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.38; (4)ACD/LogD (pH 7.4): 2.38; (5)ACD/BCF (pH 5.5): 38.17; (6)ACD/BCF (pH 7.4): 38.17; (7)ACD/KOC (pH 5.5): 471.84; (8)ACD/KOC (pH 7.4): 471.84; (9)#H bond acceptors: 1; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 6; (12)Polar Surface Area: 9.23 Å²; (13)Index of Refraction: 1.315; (14)Molar Refractivity: 37.35 cm³; (15)Molar Volume: 190.8 cm³; (16)Polarizability: 14.8×10^-24cm³; (17)Surface Tension: 18 dyne/cm; (18)Density: 1.457 g/cm³; (19)Flash Point: 26.1 °C; (20)Enthalpy of Vaporization: 41.7 kJ/mol; (21)Boiling Point: 119.6 °C at 760 mmHg; (22)Vapour Pressure: 7.71 mmHg at 25°C.

Preparation of 1-Heptanol,4,4,5,5,6,6,7,7,7-nonafluoro-: this chemical can be prepared by 4,4,5,5,6,6,7,7,7-nonafluoro-2-iodo-heptan-1-ol by heating. This reaction will need reagent lithium aluminium hydride and solvent diethyl ether with the reaction time of 3 hours. The yield is about 52%.

1-Heptanol,4,4,5,5,6,6,7,7,7-nonafluoro- can be prepared by 4,4,5,5,6,6,7,7,7-nonafluoro-2-iodo-heptan-1-ol by heating

Uses of 1-Heptanol,4,4,5,5,6,6,7,7,7-nonafluoro-: it can be used to produce 1,1,1,2,2,3,3,4,4,7-decafluoro-heptane at the temperature of 70 °C. It will need reagent 1,1,2,2-tetrafluoroethyl-N,N-dimethylamine with the reaction time of 1 hour. The yield is about 80%.

1-Heptanol,4,4,5,5,6,6,7,7,7-nonafluoro- can be used to produce 1,1,1,2,2,3,3,4,4,7-decafluoro-heptane at the temperature of 70 °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 protective clothing.

You can still convert the following datas into molecular structure:
(1)SMILES: FC(F)(C(F)(F)CCCO)C(F)(F)C(F)(F)F
(2)InChI: InChI=1S/C7H7F9O/c8-4(9,2-1-3-17)5(10,11)6(12,13)7(14,15)16/h17H,1-3H2
(3)InChIKey: OVBNEUIFHDEQHD-UHFFFAOYSA-N