METHYL 3-(2,2-DICHLOROVINYL)-2,2-DIMETHYL-(1-CYCLOPROPANE)CARBOXYLATE

The Methyl 3-(2,2-dichlorovinyl)-2,2-dimethylcyclopropanecarboxylate, with cas registry number 61898-95-1, has the systematic name of methyl 3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropanecarboxylate. Besides this, its superlist name is Cyclopropanecarboxylic acid, 3-(2,2-dichloroethenyl)-2,2-dimethyl-, methyl ester.

Physical properties about this chemical are: (1)ACD/LogP: 3.41; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.41; (4)ACD/LogD (pH 7.4): 3.41; (5)ACD/BCF (pH 5.5): 228.54; (6)ACD/BCF (pH 7.4): 228.54; (7)ACD/KOC (pH 5.5): 1698.83; (8)ACD/KOC (pH 7.4): 1698.83; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 26.3 Å²; (13)Index of Refraction: 1.552; (14)Molar Refractivity: 54.76 cm³; (15)Molar Volume: 171.2 cm³; (16)Polarizability: 21.7×10^-24cm³; (17)Surface Tension: 43.7 dyne/cm; (18)Enthalpy of Vaporization: 47.59 kJ/mol; (19)Vapour Pressure: 0.0412 mmHg at 25°C.

Uses of Methyl 3-(2,2-dichlorovinyl)-2,2-dimethylcyclopropanecarboxylate: it can be used to produce 3-(2,2-dibromo-vinyl)-2,2-dimethyl-cyclopropanecarboxylic acid methyl ester. This reaction will need reagent Al, HBr and solvent various solvent(s). The reaction time is 2 hour(s). The yield is about 90%.

When you are using this chemical, please be cautious about it as the following:
The Methyl 3-(2,2-dichlorovinyl)-2,2-dimethylcyclopropanecarboxylate irritates to eyes, respiratory system and skin. When use it, wear suitable protective clothing, gloves and eye/face protection. If 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: Cl/C(Cl)=C/C1C(C(=O)OC)C1(C)C
(2)InChI: InChI=1/C9H12Cl2O2/c1-9(2)5(4-6(10)11)7(9)8(12)13-3/h4-5,7H,1-3H3
(3)InChIKey: QJOOIMSFFIUFKX-UHFFFAOYAW
(4)Std. InChI: InChI=1S/C9H12Cl2O2/c1-9(2)5(4-6(10)11)7(9)8(12)13-3/h4-5,7H,1-3H3
(5)Std. InChIKey: QJOOIMSFFIUFKX-UHFFFAOYSA-N