BROMODICHLOROACETIC ACID

The Acetic acid,2-bromo-2,2-dichloro- with CAS registry number of 71133-14-7 is also known as Bromodichloroacetic acid. The IUPAC name is 2-Bromo-2,2-dichloroacetic acid. It belongs to product categories of 500 Series Drinking Water Methods; A-BAlphabetic; Alpha Sort; B; BI - BZChemical Class; BromoChemical Class; ChloroEPA; Halogenated; Method 552; Volatiles/ Semivolatiles. In addition, the formula is C₂HBrCl₂O₂ and the molecular weight is 207.84.

Physical properties about Acetic acid,2-bromo-2,2-dichloro- are: (1)ACD/LogP: 2.31; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.43; (4)ACD/LogD (pH 7.4): -1.44; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 26.3Ų; (13)Index of Refraction: 1.57; (14)Molar Refractivity: 30.27 cm³; (15)Molar Volume: 92.1 cm³; (16)Polarizability: 12×10^-24cm³; (17)Surface Tension: 61 dyne/cm; (18)Density: 2.254 g/cm³; (19)Flash Point: 75.2 °C; (20)Enthalpy of Vaporization: 48.16 kJ/mol; (21)Boiling Point: 200.7 °C at 760 mmHg; (22)Vapour Pressure: 0.134 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 and can cause burns. What's more, it's harmful by inhalation, in contact with skin and if swallowed, even has limited evidence of a carcinogenic effect. During using it, wear suitable protective clothing, gloves and eye/face protection. Keep away from sources of ignition. After using it, take off immediately all contaminated clothing. If contact with eyes, rinse immediately with plenty of water and seek medical advice. In case of accident or if you feel unwell seek medical advice immediately.

You can still convert the following datas into molecular structure:
1. SMILES: BrC(Cl)(Cl)C(=O)O
2. InChI: InChI=1/C2HBrCl2O2/c3-2(4,5)1(6)7/h(H,6,7)
3. InChIKey: XSWVFEQKZFUULO-UHFFFAOYAX
4. Std. InChI: InChI=1S/C2HBrCl2O2/c3-2(4,5)1(6)7/h(H,6,7)
5. Std. InChIKey: XSWVFEQKZFUULO-UHFFFAOYSA-N