CAS No.812-87-3,7H-DODECAFLUOROHEPTANEALDEHYDE HYDRATE Suppliers

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Basic Information

Molecular Structure:
CAS No.:	812-87-3
Name:	7H-DODECAFLUOROHEPTANEALDEHYDE HYDRATE
Article Data:	3

Formula:	C₇H₄F₁₂O₂
Molecular Weight:	348.09
Synonyms:	2,2,3,3,4,4,5,5,6,6,7,7-Dodecafluoroheptane-1,1-diol;
Density:	1.694 g/cm³
Melting Point:	70-71°C
Boiling Point:	203.8 °C at 760 mmHg
Flash Point:	77.1 °C
Hazard Symbols:	Xi
Risk Codes:	36/37/38
Safety:	26-36/37/39
PSA:	40.46000
LogP:	2.73870

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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