2,4-DB METHYL ESTER

The Butanoic acid,4-(2,4-dichlorophenoxy)-, methyl ester, with the CAS registry number 18625-12-2, is also known as 4-(2,4-Dichlorophenoxy)butyric acid methyl ester. This chemical's molecular formula is C₁₁H₁₂Cl₂O₃ and molecular weight is 263.1172. What's more, its IUPAC name is Methyl 4-(2,4-dichlorophenoxy)butanoate.

Physical properties about Butanoic acid,4-(2,4-dichlorophenoxy)-, methyl ester are: (1)ACD/LogP: 3.64; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.64; (4)ACD/LogD (pH 7.4): 3.64; (5)ACD/BCF (pH 5.5): 344.02; (6)ACD/BCF (pH 7.4): 344.02; (7)ACD/KOC (pH 5.5): 2276.62; (8)ACD/KOC (pH 7.4): 2276.62; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 6; (12)Polar Surface Area: 35.53 Å²; (13)Index of Refraction: 1.521; (14)Molar Refractivity: 63.02 cm³; (15)Molar Volume: 206.8 cm³; (16)Polarizability: 24.98×10^-24 cm³; (17)Surface Tension: 39.8 dyne/cm; (18)Density: 1.272 g/cm³; (19)Flash Point: 143.4 °C; (20)Enthalpy of Vaporization: 59.88 kJ/mol; (21)Boiling Point: 353.9 °C at 760 mmHg; (22)Vapour Pressure: 3.48E-05 mmHg at 25 °C.

When you are dealing with this chemical, you should be very careful. It is harmful and may cause lung damage if swallowed. It is highly flammable. It may cause sensitisation by skin contact and it is irritating to skin. It is very toxic to aquatic organisms and may cause long-term adverse effects in the aquatic environment. Its vapours may cause drowsiness and dizziness. It has possible risk of impaired fertility. And it is danger of serious damage to health by prolonged exposure through inhalation. Therefore, you should wear suitable protective clothing and gloves. You do not empty into drains.  Its container must be disposed of as hazardous waste, and avoiding release to the environment. 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: Clc1cc(Cl)ccc1OCCCC(=O)OC
(2) InChI: InChI=1/C11H12Cl2O3/c1-15-11(14)3-2-6-16-10-5-4-8(12)7-9(10)13/h4-5,7H,2-3,6H2,1H3
(3) InChIKey: NKXSNMCGZZWMMW-UHFFFAOYAQ