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| CAS No.: | 13094-51-4 |
|---|---|
| Name: | BROMOACETIC ANHYDRIDE |
| Article Data: | 33 |
| Molecular Structure: | |
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| Formula: | C4H4Br2O3 |
| Molecular Weight: | 259.882 |
| Synonyms: | Aceticacid, bromo-, anhydride (6CI,9CI);Bromoacetic anhydride; |
| Density: | 2.138g/cm3 |
| Melting Point: | 31-36 °C(lit.) |
| Boiling Point: | 226.2 °C at 760 mmHg |
| Flash Point: | 90.6 °C |
| Hazard Symbols: |
 C
|
| Risk Codes: | 34 |
| Safety: | 26-27-36-45 |
| Transport Information: | UN 3265 |
| PSA: | 43.37000 |
| LogP: | 0.84600 |
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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.
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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