METHYL CHLORODIBROMOACETATE

The Acetic acid,2,2-dibromo-2-chloro-, methyl ester with CAS registry number of 20428-75-5 is also known as Chlorodibromoacetic acid, methyl ester. The systematic name is Methyl dibromo(chloro)acetate. It belongs to product categories of META - METHEPA; 500 Series Drinking Water Methods; Alpha Sort; BromoVolatiles/ Semivolatiles; Chemical Class; Halogenated; M; MAlphabetic; Method 552. In addition, the formula is C₃H₃Br₂ClO₂ and the molecular weight is 266.32.

Physical properties about Acetic acid,2,2-dibromo-2-chloro-, methyl ester are: (1)ACD/LogP: 3.06; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.06; (4)ACD/LogD (pH 7.4): 3.06; (5)ACD/BCF (pH 5.5): 123.91; (6)ACD/BCF (pH 7.4): 123.91; (7)ACD/KOC (pH 5.5): 1096.12; (8)ACD/KOC (pH 7.4): 1096.12; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 26.3Ų; (13)Index of Refraction: 1.549; (14)Molar Refractivity: 38 cm³; (15)Molar Volume: 119.3 cm³; (16)Polarizability: 15.06×10^-24cm³; (17)Surface Tension: 47.9 dyne/cm; (18)Density: 2.231 g/cm³; (19)Flash Point: 63.3 °C; (20)Enthalpy of Vaporization: 41.74 kJ/mol; (21)Boiling Point: 181.1 °C at 760 mmHg; (22)Vapour Pressure: 0.867 mmHg at 25 °C.

When you are using this chemical, please be cautious about it. As a chemical, it is irritating to eyes, respiratory system and skin. What's more, it may cause inflammation to the skin or other mucous membranes and has highly flammable. During using it, wear suitable protective clothing and keep away from sources of ignition. 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: BrC(Br)(Cl)C(=O)OC
2. InChI: InChI=1/C3H3Br2ClO2/c1-8-2(7)3(4,5)6/h1H3
3. InChIKey: QZQHSPJXRPFOLR-UHFFFAOYAR
4. Std. InChI: InChI=1S/C3H3Br2ClO2/c1-8-2(7)3(4,5)6/h1H3
5. Std. InChIKey: QZQHSPJXRPFOLR-UHFFFAOYSA-N