BROMOACETIC ANHYDRIDE

The Acetic acid, 2-bromo-,1,1'-anhydride, with CAS registry number 13094-51-4, has the systematic name of bromoacetic anhydride. Besides this, it is also called Bis(bromoacetic acid)anhydride. Its molecular weight is 259.88. And the chemical formula of this chemical is C₄H₄Br₂O₃.

Physical properties of Acetic acid, 2-bromo-,1,1'-anhydride: (1)ACD/LogP: 0.91; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.91; (4)ACD/LogD (pH 7.4): 0.91; (5)ACD/BCF (pH 5.5): 2.9; (6)ACD/BCF (pH 7.4): 2.9; (7)ACD/KOC (pH 5.5): 74.61; (8)ACD/KOC (pH 7.4): 74.61; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 43.37 Å²; (13)Index of Refraction: 1.535; (14)Molar Refractivity: 37.84 cm³; (15)Molar Volume: 121.5 cm³; (16)Polarizability: 15×10^-24cm³; (17)Surface Tension: 51.3 dyne/cm; (18)Density: 2.138 g/cm³; (19)Flash Point: 90.6 °C; (20)Enthalpy of Vaporization: 46.28 kJ/mol; (21)Boiling Point: 226.2 °C at 760 mmHg; (22)Vapour Pressure: 0.0828 mmHg at 25°C.

Preparation: this chemical can be prepared by bromoacetic acid. This reaction will need reagent N,N'-dicyclohexylcarbodiimide.

When you are using this chemical, please be cautious about it as the following:
The Acetic acid, 2-bromo-,1,1'-anhydride may cause burns. 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: BrCC(=O)OC(=O)CBr
(2)InChI: InChI=1/C4H4Br2O3/c5-1-3(7)9-4(8)2-6/h1-2H2
(3)InChIKey: FUKOTTQGWQVMQB-UHFFFAOYAK
(4)Std. InChI: InChI=1S/C4H4Br2O3/c5-1-3(7)9-4(8)2-6/h1-2H2
(5)Std. InChIKey: FUKOTTQGWQVMQB-UHFFFAOYSA-N