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| CAS No.: | 2916-20-3 |
|---|---|
| Name: | Hexamethylene bis(chloroformate) |
| Article Data: | 7 |
| Molecular Structure: | |
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| Formula: | C8H12Cl2O4 |
| Molecular Weight: | 243.087 |
| Synonyms: | Formicacid, chloro-, hexamethylene ester (6CI,7CI,8CI);1,6-Hexanediol,bis(chloroformate) (8CI);1,6-Bis[(chlorocarbonyl)oxy]hexane;1,6-Hexamethylenebis(chloroformate);1,6-Hexanediyl bis(chloroformate);Hexamethylenebis(chloroformate);Hexamethylene glycol bis(chloroformate); |
| EINECS: | 220-840-3 |
| Density: | 1.277 g/cm3 |
| Boiling Point: | 278.5 °C at 760 mmHg |
| Flash Point: | 108 °C |
| PSA: | 52.60000 |
| LogP: | 3.29760 |
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Specification
The Hexamethylene bis(chloroformate) is an organic compound with the formula C8H12Cl2O4. The IUPAC name of this chemical is 6-carbonochloridoyloxyhexyl carbonochloridate. With the CAS registry number 2916-20-3, it is also named as Hexane-1,6-diyl dicarbonochloridate. The product's category is Chloroformates.
Physical properties about Hexamethylene bis(chloroformate) are: (1)ACD/LogP: 3.19; (2)ACD/LogD (pH 5.5): 3.19; (3)ACD/LogD (pH 7.4): 3.19; (4)ACD/BCF (pH 5.5): 155.87; (5)ACD/BCF (pH 7.4): 155.87; (6)ACD/KOC (pH 5.5): 1291.76; (7)ACD/KOC (pH 7.4): 1291.76; (8)#H bond acceptors: 4; (9)#Freely Rotating Bonds: 9; (10)Polar Surface Area: 52.6 Å2; (11)Index of Refraction: 1.462; (12)Molar Refractivity: 52.35 cm3; (13)Molar Volume: 190.3 cm3; (14)Polarizability: 20.75×10-24cm3; (15)Surface Tension: 39.3 dyne/cm; (16)Density: 1.277 g/cm3; (17)Flash Point: 108 °C; (18)Enthalpy of Vaporization: 51.72 kJ/mol; (19)Boiling Point: 278.5 °C at 760 mmHg; (20)Vapour Pressure: 0.00424 mmHg at 25°C.
Uses of Hexamethylene bis(chloroformate): it can be used to produce 1,6-dichloro-hexane. It will need reagent hexabutylguanidinium chloride with reaction time of 4 hours. The yield is about 93%.
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You can still convert the following datas into molecular structure:
(1)SMILES: ClC(=O)OCCCCCCOC(Cl)=O
(2)InChI: InChI=1/C8H12Cl2O4/c9-7(11)13-5-3-1-2-4-6-14-8(10)12/h1-6H2
(3)InChIKey: SLYNWPBNJOHZEQ-UHFFFAOYAV
(4)Std. InChI: InChI=1S/C8H12Cl2O4/c9-7(11)13-5-3-1-2-4-6-14-8(10)12/h1-6H2
(5)Std. InChIKey: SLYNWPBNJOHZEQ-UHFFFAOYSA-N