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41405-35-0

Basic Information
CAS No.: 41405-35-0
Name: 7H-Dodecafluoroheptanoyl chloride
Article Data: 4
Molecular Structure:
Molecular Structure of 41405-35-0 (7H-Dodecafluoroheptanoyl chloride)
Formula: C7HClF12O
Molecular Weight: 364.518
Synonyms: 2,2,3,3,4,4,5,5,6,6,7,7-Dodecafluoroheptanoylchloride;7H-Dodecafluoroheptanoyl chloride;
Density: 1.667 g/cm3
Boiling Point: 134.6 °C at 760 mmHg
Flash Point: 35.2 °C
Hazard Symbols: CorrosiveC
Risk Codes: 34
Safety: 26-36/37/39
PSA: 17.07000
LogP: 4.19340
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Specification

The CAS register number of 7H-Dodecafluoroheptanoyl chloride is 41405-35-0. It also can be called as Heptanoyl chloride,2,2,3,3,4,4,5,5,6,6,7,7-dodecafluoro- and the systematic name about this chemical is 2,2,3,3,4,4,5,5,6,6,7,7-dodecafluoroheptanoyl chloride. The molecular formula about this chemical is C7HClF12O and the molecular weight is 364.52.

Physical properties about 7H-Dodecafluoroheptanoyl chloride are: (1)ACD/LogP: 6.57; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 6.57; (4)ACD/LogD (pH 7.4): 6.57; (5)ACD/BCF (pH 5.5): 57595.54; (6)ACD/BCF (pH 7.4): 57595.54; (7)ACD/KOC (pH 5.5): 88934.05; (8)ACD/KOC (pH 7.4): 88934.05; (9)#H bond acceptors: 1; (10)#Freely Rotating Bonds: 6; (11)Polar Surface Area: 17.07Å2; (12)Index of Refraction: 1.301; (13)Molar Refractivity: 41.11 cm3; (14)Molar Volume: 218.5 cm3; (15)Polarizability: 16.29x10-24cm3; (16)Surface Tension: 16.5 dyne/cm; (17)Enthalpy of Vaporization: 37.21 kJ/mol; (18)Boiling Point: 134.6 °C at 760 mmHg; (19)Vapour Pressure: 8.03 mmHg at 25°C.

Uses of 7H-Dodecafluoroheptanoyl chloride: it can be used to produce bis-(7H-dodecafluoro-heptanoyl) peroxide at temperature of 0 °C. This reaction will need reagent aq. NaOH 30percent aq. H2O2 and solvent 1,1,2-trichloro-1,2,2-trifluoro-ethane. The yield is about 65%.

When you are using this chemical, please be cautious about it as the following:
This chemical can cause burns. When you are using it, wear suitable protective clothing, gloves and eye/face protection. In case of contact 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(Cl)=O)C(F)(F)C(F)(F)C(F)(F)C(F)F
(2)InChI: InChI=1/C7HClF12O/c8-1(21)3(11,12)5(15,16)7(19,20)6(17,18)4(13,14)2(9)10/h2H
(3)InChIKey: SQQWEKUYKNKPOG-UHFFFAOYAH
(4)Std. InChI: InChI=1S/C7HClF12O/c8-1(21)3(11,12)5(15,16)7(19,20)6(17,18)4(13,14)2(9)10/h2H
(5)Std. InChIKey: SQQWEKUYKNKPOG-UHFFFAOYSA-N