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Bromoacetic anhydride

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Name

Bromoacetic anhydride

EINECS N/A
CAS No. 13094-51-4 Density 2.138g/cm3
PSA 43.37000 LogP 0.84600
Solubility N/A Melting Point 31-36 °C(lit.)
Formula C4H4Br2O3 Boiling Point 226.2 °C at 760 mmHg
Molecular Weight 259.882 Flash Point 90.6 °C
Transport Information UN 3265 Appearance N/A
Safety 26-27-36-45 Risk Codes 34
Molecular Structure Molecular Structure of 13094-51-4 (BROMOACETIC ANHYDRIDE) Hazard Symbols CorrosiveC
Synonyms

Aceticacid, bromo-, anhydride (6CI,9CI);Bromoacetic anhydride;

Article Data 33

Bromoacetic anhydride Specification

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

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