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1,1-Heptanediol,2,2,3,3,4,4,5,5,6,6,7,7-dodecafluoro-

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Name

1,1-Heptanediol,2,2,3,3,4,4,5,5,6,6,7,7-dodecafluoro-

EINECS N/A
CAS No. 812-87-3 Density 1.694 g/cm3
PSA 40.46000 LogP 2.73870
Solubility N/A Melting Point 70-71°C
Formula C7H4F12O2 Boiling Point 203.8 °C at 760 mmHg
Molecular Weight 348.09 Flash Point 77.1 °C
Transport Information N/A Appearance N/A
Safety 26-36/37/39 Risk Codes 36/37/38
Molecular Structure Molecular Structure of 812-87-3 (7H-DODECAFLUOROHEPTANEALDEHYDE HYDRATE) Hazard Symbols IrritantXi
Synonyms

2,2,3,3,4,4,5,5,6,6,7,7-Dodecafluoroheptane-1,1-diol;

Article Data 3

1,1-Heptanediol,2,2,3,3,4,4,5,5,6,6,7,7-dodecafluoro- Specification

The 1,1-Heptanediol,2,2,3,3,4,4,5,5,6,6,7,7-dodecafluoro-, with the CAS registry number 812-87-3, is also known as 7H-Dodecafluoroheptanealdehyde hydrate. This chemical's molecular formula is C7H4F12O2 and molecular weight is 348.09. What's more, its systematic name is called 2,2,3,3,4,4,5,5,6,6,7,7-Dodecafluoroheptane-1,1-diol.

Physical properties about 1,1-Heptanediol,2,2,3,3,4,4,5,5,6,6,7,7-dodecafluoro- are: (1)ACD/LogP: 3.85; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.85; (4)ACD/LogD (pH 7.4): 3.85; (5)ACD/BCF (pH 5.5): 498.06; (6)ACD/BCF (pH 7.4): 497.83; (7)ACD/KOC (pH 5.5): 2966.99; (8)ACD/KOC (pH 7.4): 2965.61; (9)#H bond acceptors: 2; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 8; (12)Polar Surface Area: 18.46 Å2; (13)Index of Refraction: 1.307; (14)Molar Refractivity: 39.25 cm3; (15)Molar Volume: 205.4 cm3; (16)Surface Tension: 18.9 dyne/cm; (17)Density: 1.694 g/cm3; (18)Flash Point: 77.1 °C; (19)Enthalpy of Vaporization: 51.19 kJ/mol; (20)Boiling Point: 203.8 °C at 760 mmHg; (21)Vapour Pressure: 0.0657 mmHg at 25 °C; (22)Melting Point: 70-71 °C.

Preparation of 1,1-Heptanediol,2,2,3,3,4,4,5,5,6,6,7,7-dodecafluoro-: this chemical can be prepared by 1H,1H,7H-Dodecafluoro-heptan-1-ol. This reaction needs reagent NO2 at temperature of 300-400 °C.

1,1-Heptanediol,2,2,3,3,4,4,5,5,6,6,7,7-dodecafluoro- can be prepared by 1H,1H,7H-Dodecafluoro-heptan-1-ol

Uses of 1,1-Heptanediol,2,2,3,3,4,4,5,5,6,6,7,7-dodecafluoro-: it is used to produce other chemicals. For example, it is used to produce 7-H-Dodecafluoroheptanal hydrazone. The reaction occurs with reagent Hydrazine hydrate and solvents Ethanol, Acetic acid for 24 hours. The yield is 70 %.

 1,1-Heptanediol,2,2,3,3,4,4,5,5,6,6,7,7-dodecafluoro- is used to produce 7-H-Dodecafluoroheptanal hydrazone.

When you are dealing with this chemical, you should be very careful. This chemical is irritating to eyes, respiratory system and skin. Therefore, you should wear suitable protective clothing, gloves and eye/face protection. In case of contacting with eyes, you should 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(O)O)C(F)(F)C(F)(F)C(F)(F)C(F)F
(2) InChI: InChI=1/C7H4F12O2/c8-1(9)3(10,11)5(14,15)7(18,19)6(16,17)4(12,13)2(20)21/h1-2,20-21H
(3) InChIKey: CTPJWMXVKNDLCK-UHFFFAOYAD

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