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CAS No.: | 2207-27-4 |
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Name: | 1,2,3,4-Tetrachloro-5,5-dimethoxycyclopentadiene |
Article Data: | 18 |
Molecular Structure: | |
Formula: | C7H6Cl4O2 |
Molecular Weight: | 263.935 |
Synonyms: | 2,4-Cyclopentadien-1-one,2,3,4,5-tetrachloro-, dimethyl acetal (8CI);Cyclopentadiene, 1,2,3,4-tetrachloro-5,5-dimethoxy-(5CI);Cyclopentadienone, tetrachloro-, dimethyl acetal (6CI,7CI);1,1-Dimethoxy-2,3,4,5-tetrachloro-2,4-cyclopentadiene;1,1-Dimethoxy-2,3,4,5-tetrachlorocyclopentadiene;1,1-Dimethoxytetrachlorocyclopentadiene;1,2,3,4-Tetrachloro-5,5-dimethoxy-1,3-cyclopentadiene;1,2,3,4-Tetrachloro-5,5-dimethoxycyclopentadiene;2,3,4,5-Tetrachloro-1,1-dimethoxycyclopentadiene;2,3,4,5-Tetrachloro-2,4-cyclopentadien-1-one dimethyl acetal;2,3,4,5-Tetrachlorocyclopentadienone dimethyl acetal;5,5-Dimethoxy-1,2,3,4-tetrachloro-1,3-cyclopentadiene;5,5-Dimethoxy-1,2,3,4-tetrachlorocyclopentadiene;5,5-Dimethoxytetrachlorocyclopentadiene;NSC 5584;Tetrachlorocyclopentadienonedimethyl acetal;Tetrachlorocyclopentadienone dimethyl ketal; |
EINECS: | 218-623-3 |
Density: | 1.501g/cm3 |
Melting Point: | 26-28 °C |
Boiling Point: | 239.6 °C at 760 mmHg |
Flash Point: | 66.7 °C |
Risk Codes: | 22-24/25 |
Safety: | 22-24/25 |
PSA: | 18.46000 |
LogP: | 3.36750 |
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The 1,2,3,4-Tetrachloro-5,5-dimethoxycyclopentadiene, with CAS registry number 2207-27-4, belongs to the following product categories: (1)Halides; (2)Ring Systems; (3)Acetals/Ketals/Ortho Esters; (4)Organic Building Blocks; (5)Oxygen Compounds. It has the systematic name of 1,2,3,4-tetrachloro-5,5-dimethoxycyclopenta-1,3-diene. This chemical should be stored at the temperature of 2-8°C. When use this chemical, please do not breathe dust and avoid contact with skin and eyes.
Physical properties of 1,2,3,4-Tetrachloro-5,5-dimethoxycyclopentadiene: (1)ACD/LogP: 5.95; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 5.94; (4)ACD/LogD (pH 7.4): 5.94; (5)ACD/BCF (pH 5.5): 19415.66; (6)ACD/BCF (pH 7.4): 19415.66; (7)ACD/KOC (pH 5.5): 40836.25; (8)ACD/KOC (pH 7.4): 40836.25; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 18.46 Å2; (13)Index of Refraction: 1.544; (14)Molar Refractivity: 54.14 cm3; (15)Molar Volume: 171.2 cm3; (16)Polarizability: 21.46×10-24cm3; (17)Surface Tension: 41.1 dyne/cm; (18)Enthalpy of Vaporization: 45.72 kJ/mol; (19)Vapour Pressure: 0.0614 mmHg at 25°C.
Uses of 1,2,3,4-Tetrachloro-5,5-dimethoxycyclopentadiene: it can be used to produce 3,5,5-Trimethoxy-1,2,4-trichlorocyclopentadiene. This reaction will need reagent KOH and solvent dimethylsulfoxide. The reaction time is 18 hour(s) with reaction temperature of 20 ℃. The yield is about 97%.
You can still convert the following datas into molecular structure:
(1)SMILES: Cl\C1=C(/Cl)\C(\Cl)=C(\Cl)C1(OC)OC
(2)InChI: InChI=1/C7H6Cl4O2/c1-12-7(13-2)5(10)3(8)4(9)6(7)11/h1-2H3
(3)InChIKey: UHSMEJQTFMHABA-UHFFFAOYAH
(4)Std. InChI: InChI=1S/C7H6Cl4O2/c1-12-7(13-2)5(10)3(8)4(9)6(7)11/h1-2H3
(5)Std. InChIKey: UHSMEJQTFMHABA-UHFFFAOYSA-N